<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">13147</id>
  <title nil="true"/>
  <common-name>2,2-Bipyridine</common-name>
  <description>2,2-Bipyridine (C10H8N2) is an organic compound with an average molecular weight of 156.18 g/mol. 2,2-Bipyridine belongs to the bipyridines and oligopyridines, a subclass of pyridines and derivatives within the organic compounds. Industrially, the compound serves as a ligand (PMC8169770, PMC9518635).

The compound is associated with 36 recorded sources. These include electrical and electronic equipment, specifically antennas, adjustable resistors, coils, auxiliary devices, and conductors or conductive bodies characterised by the conductive materials, among 16 others. It is found in household cleaning and consumer products such as soap detergents, bleaching agents, perfumes within detergents and soaps, cigar cigarettes, and other smoking requisites, along with two additional sources. In the context of food, food processing and cookware, it is linked to food preservation and fermentation processes for beer, wine or sparkling wine, the preparation of malt, and the preparation of vinegar, among others. Additionally, it is recorded in drinking water and water supply, as well as in building and construction materials such as ladders. The recorded exposure route for this compound is oral.</description>
  <cas>366-18-7</cas>
  <pubchem-id>1474</pubchem-id>
  <chemical-formula>C10H8N2</chemical-formula>
  <weight>156.18</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-05-19T03:48:50Z</created-at>
  <updated-at type="dateTime">2026-08-18T05:33:33Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>C1=CC=C(N=C1)C1=CC=CC=N1</moldb-smiles>
  <moldb-formula>C10H8N2</moldb-formula>
  <moldb-inchi>InChI=1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H</moldb-inchi>
  <moldb-inchikey>ROFVEXUMMXZLPA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">156.1839</moldb-average-mass>
  <moldb-mono-mass type="decimal">156.068748266</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.7</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>13867714</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM012042</chemdb-id>
  <dsstox-id>DTXSID9040635</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00006090</susdat-id>
  <iupac>2-pyridin-2-ylpyridine</iupac>
  <moldb-polar-surface-area>25.78</moldb-polar-surface-area>
  <moldb-refractivity>46.136399999999995</moldb-refractivity>
  <moldb-polarizability>16.796919869548393</moldb-polarizability>
  <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>3.2956412775699664</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>1.85</moldb-alogps-logp>
  <moldb-alogps-logs>-0.99</moldb-alogps-logs>
  <moldb-alogps-solubility>1.58e+01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Pyridines and derivatives</klass>
  <subklass>Bipyridines and oligopyridines</subklass>
  <paper-count type="integer">11662</paper-count>
  <sync-id>CED0002920</sync-id>
  <structure-inchikey>ROFVEXUMMXZLPA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000000008000000000000000000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000800000000000000000000000000800000000000000010000000000100000000000000000000000000000000000000000000080000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000200000000000000000000000010002040000000000000000000000000004000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>108000000200400000080009082000008000000004000000210042020000045000000000800000000001000280000004200020408c30010020443000a0000084110800020000000080100001620000000101104200003200000420000040000c2004040000020000000400400002002000803000090044110808000051000202400000044000000800100008080008100c0002440000020000080000000000000300000000400000000800002c201002c00008004108400000000000c002100020000404000a000180000000010200000000000040400000000000080000000000000000010004000000104001200000100010004000020000000050000000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€��@h�������@h�������@h�������@(������@(������@h�������@(������@h�������@h�������@h�������@h�������@(��������h���h���h���h���h��� ��h���h��	h�	
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  <structure-indexed-at type="dateTime">2026-09-19T04:05:00Z</structure-indexed-at>
</compound>
