69114
  CDK     1106202311

 10 10  0  0  0  0  0  0  0  0999 V2000
    2.3644   -1.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    1.3654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.1279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -1.1096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5079   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3644    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0 
  2 10  1  0  0  0  0 
  3 10  2  0  0  0  0 
  4  6  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  2  0  0  0  0 
  5 10  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
M  END
> <ID>
CHEBI:166572

> <NAME>
2-Hydroxynicotinic acid

> <STAR>
2

> <IUPAC_NAME>
2-oxo-1H-pyridine-3-carboxylic acid

> <FORMULA>
C6H5NO3

> <MASS>
139.110

> <MONOISOTOPIC_MASS>
139.02694

> <CHARGE>
0

> <SMILES>
O=C1NC=CC=C1C(O)=O

> <INCHI>
InChI=1S/C6H5NO3/c8-5-4(6(9)10)2-1-3-7-5/h1-3H,(H,7,8)(H,9,10)

> <INCHIKEY>
UEYQJQVBUVAELZ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
609-71-2

> <CHEMIDPLUS>
609-71-2

> <PDBECHEM_ACCESSION>
ES6

$$$$