Mrv0541 03041409252D          

  6  6  0  0  0  0            999 V2000
    1.8695    0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550    0.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840    0.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5840   -0.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8695   -1.1372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1550   -0.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  2  2  0  0  0  0
M  END
> <ID>
CHEBI:16227

> <NAME>
pyridine

> <DEFINITION>
An  azaarene comprising a benzene core in which one -CH group is replaced by a nitrogen atom. It is the parent compound of the class pyridines.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:8662; CHEBI:14974; CHEBI:26415

> <SYNONYM>
pyridine; Pyridine; py; Azabenzene

> <IUPAC_NAME>
pyridine

> <FORMULA>
C5H5N

> <MASS>
79.09990

> <MONOISOTOPIC_MASS>
79.04220

> <CHARGE>
0

> <SMILES>
c1ccncc1

> <INCHI>
InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H

> <INCHIKEY>
JUJWROOIHBZHMG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
103233

> <CAS_REGISTRY_NUMBER>
110-86-1

> <GMELIN_REGISTRY_NUMBER>
1996

> <REAXYS_REGISTRY_NUMBER>
103233

> <CHEMIDPLUS>
110-86-1

> <KEGG_COMPOUND_ACCESSION>
C00747

> <NIST_CHEMISTRY_WEBBOOK>
110-86-1

> <PDBECHEM_ACCESSION>
0PY

> <WIKIPEDIA_ACCESSION>
Pyridine

> <PUBMED_CITATION>
24364496; 24425539; 8070089

$$$$