CAS 1261907-85-0

2-Chloro-5-[4-fluoro-3-(methoxycarbonyl)phenyl]-3-pyridinecarboxylic acid

Description:

2-Chloro-5-[4-fluoro-3-(methoxycarbonyl)phenyl]-3-pyridinecarboxylic acid is a chemical compound characterized by its complex structure, which includes a pyridine ring and multiple functional groups. The presence of a chloro substituent and a fluoro substituent indicates that this compound may exhibit unique reactivity and solubility properties, potentially influencing its biological activity. The methoxycarbonyl group suggests that it can participate in esterification reactions, making it a versatile intermediate in organic synthesis. This compound is likely to be a solid at room temperature, with potential applications in pharmaceuticals or agrochemicals due to its structural features. Its molecular interactions may be influenced by hydrogen bonding capabilities, given the carboxylic acid functional group. Additionally, the presence of halogens can enhance lipophilicity, affecting its distribution in biological systems. Overall, the characteristics of this compound make it a subject of interest for further research in medicinal chemistry and related fields.

Formula: C₁₄H₉ClFNO₄

InChI: InChI=1S/C14H9ClFNO4/c1-21-14(20)9-4-7(2-3-11(9)16)8-5-10(13(18)19)12(15)17-6-8/h2-6H,1H3,(H,18,19)

InChI key: InChIKey=GYZZNZJQOWRCOE-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=C(C=CC1F)C=2C=C(C(O)=O)C(Cl)=NC2

Synonyms:

• 2-Chloro-5-[4-fluoro-3-(methoxycarbonyl)phenyl]-3-pyridinecarboxylic acid
• 3-Pyridinecarboxylic acid, 2-chloro-5-[4-fluoro-3-(methoxycarbonyl)phenyl]-