Ketcher 07201515582D 1   1.00000     0.00000     0

  8  8  0     0  0            999 V2000
    4.5981   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0     0  0
  1  7  2  0     0  0
  2  8  3  0     0  0
  3  4  1  0     0  0
  3  6  2  0     0  0
  3  8  1  0     0  0
  4  5  2  0     0  0
  5  7  1  0     0  0
M  END
> <ID>
CHEBI:86556

> <NAME>
3-pyridinecarbonitrile

> <DEFINITION>
A nitrile that is  pyridine substituted by a cyano group at position 3.

> <STAR>
3

> <SYNONYM>
nicotinonitrile; 3-cyanopyridine; 3-azabenzonitrile

> <IUPAC_NAME>
pyridine-3-carbonitrile

> <FORMULA>
C6H4N2

> <MASS>
104.10940

> <MONOISOTOPIC_MASS>
104.03745

> <CHARGE>
0

> <SMILES>
N#Cc1cccnc1

> <INCHI>
InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H

> <INCHIKEY>
GZPHSAQLYPIAIN-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
100-54-9

> <REAXYS_REGISTRY_NUMBER>
107711

> <CHEMIDPLUS>
100-54-9

> <PUBMED_CITATION>
25679457

$$$$