Molecule ID: 54675772

IUPAC Name: 4-hydroxy-6-oxo-5-(3-oxopropyl)-1H-pyridine-2-carboxylic acid

Description: The molecule is a pyridinemonocarboxylic acid that is 1,6-dihydropyridine-2-carboxylic acid substituted by a hydroxy group at position 4, a 2'-formylethyl group at position 5 and an oxo group at position 6 respectively. It is a pyridinemonocarboxylic acid, a dioxo monocarboxylic acid, a hydroxy monocarboxylic acid and an aldehyde. It derives from a picolinic acid. It is a conjugate acid of a 5-(2'-formylethyl)-4,6-dihydroxypicolinate.

SMILES: O=CCCc1c(O)cc(C(=O)O)nc1O

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

InChI: InChI=1S/C9H9NO5/c11-3-1-2-5-7(12)4-6(9(14)15)10-8(5)13/h3-4H,1-2H2,(H,14,15)(H2,10,12,13)

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: -1.0