Molecule ID: 9304

IUPAC Name: 2-(3,5-diiodo-4-oxopyridin-1-yl)acetic acid

Description: The molecule is a 4-pyridone in which the pyridone is iodo-substituted at C-3 and -5 and has a carboxymethyl substituent on nitrogen; used as a radiocontrast agent urography. It has a role as a radioopaque medium. It is a member of 4-pyridones, a monocarboxylic acid and an organoiodine compound.

SMILES: O=C(O)Cn1cc(I)c(=O)c(I)c1

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

InChI: InChI=1S/C7H5I2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)

Molecular Properties:
- Polar Surface Area: 57.6 Ų
- LogP: 1.2