CAS 883541-40-0

3-(3-Fluorophenyl)-5-isoxazolecarboxylic acid

Description:

3-(3-Fluorophenyl)-5-isoxazolecarboxylic acid is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. The presence of a fluorophenyl group indicates that a fluorine atom is substituted on the phenyl ring, influencing the compound's electronic properties and potentially its biological activity. This compound typically exhibits acidic properties due to the carboxylic acid functional group, allowing it to participate in various chemical reactions, including esterification and amidation. Its molecular structure suggests potential applications in pharmaceuticals, particularly in the development of anti-inflammatory or analgesic agents, as compounds with similar structures have been explored for such purposes. Additionally, the fluorine substitution can enhance lipophilicity and metabolic stability, making it a candidate for drug development. The compound's solubility, stability, and reactivity can vary based on environmental conditions and the presence of other functional groups, which are important considerations in both synthetic and application contexts.

Formula: C₁₀H₆FNO₃

InChI: InChI=1S/C10H6FNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14)

InChI key: InChIKey=UFBUQALMQUCGQA-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=CC(=NO1)C2=CC(F)=CC=C2

Synonyms:

• 5-Isoxazolecarboxylic acid, 3-(3-fluorophenyl)-
• 3-(3-Fluorophenyl)-5-isoxazolecarboxylic acid