CAS 1261983-57-6

5-(3-Chloro-5-methylphenyl)-3-pyridinecarboxylic acid

Description:

5-(3-Chloro-5-methylphenyl)-3-pyridinecarboxylic acid is a chemical compound characterized by its unique structure, which includes a pyridine ring and a carboxylic acid functional group. The presence of the 3-chloro-5-methylphenyl substituent contributes to its potential biological activity and solubility properties. This compound typically exhibits moderate polarity due to the carboxylic acid group, which can engage in hydrogen bonding, influencing its solubility in polar solvents. The chlorinated aromatic ring may impart specific reactivity and stability characteristics, making it of interest in pharmaceutical and agrochemical research. Additionally, the compound's molecular structure suggests potential applications in medicinal chemistry, particularly in the development of compounds targeting various biological pathways. Its CAS number, 1261983-57-6, allows for precise identification and retrieval of information regarding its properties, synthesis, and safety data in chemical databases. Overall, this compound represents a class of molecules that may have significant implications in various fields of chemical research and application.

Formula: C₁₃H₁₀ClNO₂

InChI: InChI=1S/C13H10ClNO2/c1-8-2-9(5-12(14)3-8)10-4-11(13(16)17)7-15-6-10/h2-7H,1H3,(H,16,17)

InChI key: InChIKey=SQFCKHBDAXGASG-UHFFFAOYSA-N

SMILES: CC=1C=C(C=C(Cl)C1)C=2C=C(C(O)=O)C=NC2

Synonyms:

• 3-Pyridinecarboxylic acid, 5-(3-chloro-5-methylphenyl)-
• 5-(3-Chloro-5-methylphenyl)-3-pyridinecarboxylic acid