Molecule ID: 2972

IUPAC Name: 3-hydroxy-1,2-dimethylpyridin-4-one

Description: The molecule is a member of the class of 4-pyridones that is pyridin-4(1H)-one substituted at positions 1 and 2 by methyl groups and at position 3 by a hydroxy group. A lipid-soluble iron-chelator used for treatment of thalassaemia. It has a role as an iron chelator and a protective agent.

SMILES: Cc1c(O)c(=O)ccn1C

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

InChI: InChI=1S/C7H9NO2/c1-5-7(10)6(9)3-4-8(5)2/h3-4,10H,1-2H3

Molecular Properties:
- Polar Surface Area: 40.5 Ų
- LogP: 0.5