Molecule ID: 192767

IUPAC Name: 5-(2,5-dihydroxy-6-oxo-1H-pyridin-3-yl)pyridine-2,3,6-trione

Description: The molecule is an extended quinone obtained by formal autoxidation of 2,3,6-trihydroxypyridine. It has a role as a biological pigment. It derives from a 2,3,6-trihydroxypyridine. It is a conjugate acid of a nicotine blue(2-).

SMILES: O=C1C=C(c2cc(O)c(O)nc2O)C(O)=NC1=O

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

InChI: InChI=1S/C10H6N2O6/c13-5-1-3(7(15)11-9(5)17)4-2-6(14)10(18)12-8(4)16/h1-2,13H,(H2,11,15,17)(H,12,16,18)

Molecular Properties:
- Polar Surface Area: 133.0 Ų
- LogP: -1.6