CAS 1258626-13-9

3-(3-Chlorophenyl)-4-pyridinecarboxylic acid

Description:

3-(3-Chlorophenyl)-4-pyridinecarboxylic acid, identified by its CAS number 1258626-13-9, is an organic compound characterized by the presence of both a pyridine and a chlorophenyl group in its structure. This compound features a carboxylic acid functional group, which contributes to its acidic properties and potential reactivity. The chlorophenyl moiety introduces a chlorine substituent on the aromatic ring, which can influence the compound's electronic properties and reactivity. Typically, compounds of this nature may exhibit biological activity, making them of interest in pharmaceutical research. The presence of the pyridine ring can enhance solubility in polar solvents and may also participate in hydrogen bonding interactions. Additionally, the compound's molecular structure suggests potential applications in medicinal chemistry, agrochemicals, or as intermediates in organic synthesis. Its specific characteristics, such as melting point, boiling point, and solubility, would depend on the precise molecular interactions and the environment in which it is studied.

Formula: C₁₂H₈ClNO₂

InChI: InChI=1S/C12H8ClNO2/c13-9-3-1-2-8(6-9)11-7-14-5-4-10(11)12(15)16/h1-7H,(H,15,16)

InChI key: InChIKey=DVONQIMDBSUGDX-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C(=CN=CC1)C2=CC(Cl)=CC=C2

Synonyms:

• 3-(3-Chlorophenyl)-4-pyridinecarboxylic acid
• 4-Pyridinecarboxylic acid, 3-(3-chlorophenyl)-