CAS 878714-38-6

4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid

Description:

4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid, with the CAS number 878714-38-6, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with a chlorine atom and a pyridinylmethylamino group. This compound features a chloro substituent at the 4-position and an amino group linked to a pyridine ring at the 3-position of the benzoic acid. It is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the presence of the carboxylic acid functional group. The compound's structure suggests potential biological activity, making it of interest in pharmaceutical research, particularly in the development of drugs targeting specific receptors or enzymes. Its properties, such as melting point, boiling point, and reactivity, can vary based on the specific conditions and purity of the sample. Additionally, safety data should be consulted, as the presence of chlorine and the amino group may influence its toxicity and handling requirements.

Formula: C₁₃H₁₁ClN₂O₂

InChI: InChI=1S/C13H11ClN2O2/c14-11-2-1-10(13(17)18)7-12(11)16-8-9-3-5-15-6-4-9/h1-7,16H,8H2,(H,17,18)

InChI key: InChIKey=VXZYALXKNRPJNL-UHFFFAOYSA-N

SMILES: N(CC=1C=CN=CC1)C2=CC(C(O)=O)=CC=C2Cl

Synonyms:

• 4-Chloro-3-[(4-pyridinylmethyl)amino]benzoic acid
• Benzoic acid, 4-chloro-3-[(4-pyridinylmethyl)amino]-