Molecule ID: 54675773

IUPAC Name: 5-(2-carboxyethyl)-4-hydroxy-6-oxo-1H-pyridine-2-carboxylic acid

Description: The molecule is a pyridone that is 6-oxo-1,6-dihydropyridine-2-carboxylic acid substituted by a 2-carboxyethyl group at position 5. It is an oxo dicarboxylic acid, a pyridone and a monohydroxypyridine. It derives from a picolinic acid. It is a conjugate acid of a 5-(2'-carboxyethyl)-4,6-dihydroxypicolinate.

SMILES: O=C(O)CCc1c(O)cc(C(=O)O)nc1O

SELFIES: [O][=C][Branch1][C][O][C][C][C][=C][Branch1][C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][=C][Ring1][#Branch2][O]

InChI: InChI=1S/C9H9NO6/c11-6-3-5(9(15)16)10-8(14)4(6)1-2-7(12)13/h3H,1-2H2,(H,12,13)(H,15,16)(H2,10,11,14)

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: -0.9