Molecule ID: 157722

IUPAC Name: 2-(4-chlorophenyl)-1-ethyl-6-methyl-4-oxopyridine-3-carboxylic acid

Description: The molecule is a member of the class of 4-pyridones that is N-ethyl-4-pyridone that is substituted at positions 2, 3, and 6 by p-chlorophenyl, carboxy, and methyl groups, respectively. It is used (particularly as its potassium salt, known as karetazan-potassium) as a chemical hybridisation agent for commercial hybrid seed production. It is not approved for use within the European Union. It has a role as a chemical hybridisation agent. It is a monocarboxylic acid, a member of monochlorobenzenes, a biaryl and a member of 4-pyridones. It is a conjugate acid of a karetazan(1-).

SMILES: CCn1c(C)cc(=O)c(C(=O)O)c1-c1ccc(Cl)cc1

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

InChI: InChI=1S/C15H14ClNO3/c1-3-17-9(2)8-12(18)13(15(19)20)14(17)10-4-6-11(16)7-5-10/h4-8H,3H2,1-2H3,(H,19,20)

Molecular Properties:
- Polar Surface Area: 57.6 Ų
- LogP: 3.6