CAS 852388-70-6

2-[(2,4-Dimethylphenyl)thio]-3-pyridinecarboxylic acid

Description:

2-[(2,4-Dimethylphenyl)thio]-3-pyridinecarboxylic acid, identified by its CAS number 852388-70-6, is an organic compound featuring a pyridine ring substituted with a carboxylic acid group and a thioether linkage to a 2,4-dimethylphenyl group. This compound exhibits characteristics typical of both aromatic and heterocyclic compounds, contributing to its potential reactivity and biological activity. The presence of the carboxylic acid group suggests it can participate in acid-base reactions, while the thioether moiety may influence its solubility and interaction with biological systems. The dimethyl substitutions on the phenyl ring can enhance lipophilicity and steric hindrance, potentially affecting its pharmacokinetic properties. Additionally, the compound may exhibit various functional properties, such as antimicrobial or anti-inflammatory activities, making it of interest in medicinal chemistry. Its structural features allow for diverse applications in drug development and synthesis, although specific biological activities would require empirical investigation.

Formula: C₁₄H₁₃NO₂S

InChI: InChI=1S/C14H13NO2S/c1-9-5-6-12(10(2)8-9)18-13-11(14(16)17)4-3-7-15-13/h3-8H,1-2H3,(H,16,17)

InChI key: InChIKey=NCGXUBLFJFDNMA-UHFFFAOYSA-N

SMILES: S(C1=C(C(O)=O)C=CC=N1)C2=C(C)C=C(C)C=C2

Synonyms:

• 3-Pyridinecarboxylic acid, 2-[(2,4-dimethylphenyl)thio]-
• 2-[(2,4-Dimethylphenyl)thio]nicotinic acid
• 2-[(2,4-Dimethylphenyl)sulfanyl]pyridine-3-carboxylic acid
• 2-[(2,4-Dimethylphenyl)thio]-3-pyridinecarboxylic acid