Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-10 22:25:50 UTC |
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Update Date | 2021-09-26 22:53:47 UTC |
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HMDB ID | HMDB0245352 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 2,2'-Bipyridine |
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Description | 2,2'-Bipyridine, also known as bpy or dipyridyl, 2,2, belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. 2,2'-Bipyridine exists in all living organisms, ranging from bacteria to humans. Based on a literature review a significant number of articles have been published on 2,2'-Bipyridine. This compound has been identified in human blood as reported by (PMID: 31557052 ). 2,2'-bipyridine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 2,2'-Bipyridine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H |
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Synonyms | Value | Source |
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2,2'-Bipyridin | ChEBI | 2,2'-Bipyridyl | ChEBI | 2,2'-Dipyridine | ChEBI | 2,2'-Dipyridyl | ChEBI | 2-(2-Pyridyl)pyridine | ChEBI | alpha,Alpha'-bipyridine | ChEBI | alpha,Alpha'-bipyridyl | ChEBI | alpha,Alpha'-dipyridine | ChEBI | alpha,Alpha'-dipyridyl | ChEBI | bpy | ChEBI | a,Alpha'-bipyridine | Generator | Α,alpha'-bipyridine | Generator | a,Alpha'-bipyridyl | Generator | Α,alpha'-bipyridyl | Generator | a,Alpha'-dipyridine | Generator | Α,alpha'-dipyridine | Generator | a,Alpha'-dipyridyl | Generator | Α,alpha'-dipyridyl | Generator | Dipyridyl, 2,2 | HMDB | 2,2-Dipyridyl | HMDB | 2,2 Dipyridyl | HMDB | 2,2 Bipyridine | HMDB | alpha,alpha Dipyridyl | HMDB | 2,2 Bipyridyl | HMDB | 2,2-Bipyridyl | HMDB | 2,2' Dipyridyl | HMDB | Dipyridyl, 2,2' | HMDB | alpha,alpha-Dipyridyl | HMDB | 2,2-Bipyridine | HMDB | 2,2' Bipyridine | HMDB | Bipyridyl | HMDB |
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Chemical Formula | C10H8N2 |
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Average Molecular Weight | 156.1839 |
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Monoisotopic Molecular Weight | 156.068748266 |
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IUPAC Name | 2,2'-bipyridine |
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Traditional Name | bipyridyl |
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CAS Registry Number | Not Available |
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SMILES | C1=CC=C(N=C1)C1=CC=CC=N1 |
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InChI Identifier | InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H |
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InChI Key | ROFVEXUMMXZLPA-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pyridines and derivatives |
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Sub Class | Bipyridines and oligopyridines |
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Direct Parent | Bipyridines and oligopyridines |
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Alternative Parents | |
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Substituents | - Bipyridine
- Heteroaromatic compound
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - 2,2'-Bipyridine GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4i-1900000000-6b41835e3823a3506206 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - 2,2'-Bipyridine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Experimental LC-MS/MS | LC-MS/MS Spectrum - 2,2'-Bipyridine LC-ESI-QFT 10V, positive-QTOF | splash10-0a4i-0900000000-ae997d751927c2f42923 | 2020-07-21 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - 2,2'-Bipyridine 35V, Positive-QTOF | splash10-0a4i-0900000000-ae997d751927c2f42923 | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2,2'-Bipyridine 10V, Positive-QTOF | splash10-0a4i-0900000000-6ab0e30022201b78804b | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2,2'-Bipyridine 20V, Positive-QTOF | splash10-0a4i-0900000000-741cd79f229e23cfee99 | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2,2'-Bipyridine 40V, Positive-QTOF | splash10-0udi-4900000000-7f2ac703600a1b786f0a | 2016-06-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2,2'-Bipyridine 10V, Negative-QTOF | splash10-0a4i-0900000000-c81ab3e67b048e47b8c2 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2,2'-Bipyridine 20V, Negative-QTOF | splash10-0a4i-0900000000-d479cfedfd389d5ba2bf | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2,2'-Bipyridine 40V, Negative-QTOF | splash10-0a6r-2900000000-7b4e15531554572c564c | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2,2'-Bipyridine 10V, Positive-QTOF | splash10-0a4i-0900000000-8a6bf55263d2e8824c17 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2,2'-Bipyridine 20V, Positive-QTOF | splash10-0a59-0900000000-c723d829599eff3e73f6 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2,2'-Bipyridine 40V, Positive-QTOF | splash10-0w33-3900000000-13d338e4bbfabd9cf3ba | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2,2'-Bipyridine 10V, Negative-QTOF | splash10-0a4i-0900000000-55ef27dd0ecfd19d8864 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2,2'-Bipyridine 20V, Negative-QTOF | splash10-0a4i-0900000000-55ef27dd0ecfd19d8864 | 2021-10-12 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 2,2'-Bipyridine 40V, Negative-QTOF | splash10-0zfr-0900000000-24b2abb55c918013fb94 | 2021-10-12 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-10-12 | Wishart Lab | View Spectrum |
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