Molecule ID: 54683777

IUPAC Name: 4-carboxy-6-methyl-5-oxidopyridine-3-carboxylate

Description: The molecule is a pyridinedicarboxylate. It derives from a cinchomeronate(2-). It is a conjugate base of a 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid. It is a tautomer of a 5-oxido-6-methylpyridinium-3,4-dicarboxylate.

SMILES: Cc1ncc(C(=O)[O-])c(C(=O)O)c1[O-]

SELFIES: [C][C][=N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][N][O-1]

InChI: InChI=1S/C8H7NO5/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12/h2,10H,1H3,(H,11,12)(H,13,14)/p-2

Molecular Properties:
- Polar Surface Area: 113.0 Ų
- LogP: 1.8