CAS 76053-40-2

1,2-Dihydro-5-(3-methylphenyl)-2-oxo-3-pyridinecarboxylic acid

Description:

1,2-Dihydro-5-(3-methylphenyl)-2-oxo-3-pyridinecarboxylic acid, with CAS number 76053-40-2, is a chemical compound that belongs to the class of pyridinecarboxylic acids. This substance features a pyridine ring, which is a six-membered aromatic ring containing one nitrogen atom, and is substituted with a carboxylic acid group and a ketone functional group. The presence of the 3-methylphenyl group indicates that there is a methyl substituent on the phenyl ring, contributing to its overall hydrophobic character. The compound is likely to exhibit moderate solubility in organic solvents and limited solubility in water due to its hydrophobic aromatic components. It may participate in various chemical reactions typical of carboxylic acids and ketones, such as esterification and nucleophilic addition. Additionally, the compound may have potential applications in pharmaceuticals or agrochemicals, given the structural features common in biologically active molecules. However, specific biological activities or toxicity profiles would require further investigation.

Formula: C₁₃H₁₁NO₃

InChI: InChI=1S/C13H11NO3/c1-8-3-2-4-9(5-8)10-6-11(13(16)17)12(15)14-7-10/h2-7H,1H3,(H,14,15)(H,16,17)

InChI key: InChIKey=GZEKPUAMXXUGNH-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=CC(=CNC1=O)C2=CC(C)=CC=C2

Synonyms:

• 2-Hydroxy-5-(3-methylphenyl)nicotinic acid
• 2-Hydroxy-5-(3-methylphenyl)pyridine-3-carboxylic acid
• 1,2-Dihydro-5-(3-methylphenyl)-2-oxo-3-pyridinecarboxylic acid
• 3-Pyridinecarboxylic acid, 1,2-dihydro-5-(3-methylphenyl)-2-oxo-