CAS 1293284-51-1

3-Fluoro-2-(2H-1,2,3-triazol-2-yl)benzoic acid

Description:

3-Fluoro-2-(2H-1,2,3-triazol-2-yl)benzoic acid is a chemical compound characterized by its unique structure, which includes a benzoic acid moiety substituted with a fluorine atom and a 1,2,3-triazole ring. The presence of the fluorine atom enhances the compound's lipophilicity and can influence its biological activity. The triazole ring is known for its stability and ability to form hydrogen bonds, which may contribute to the compound's potential as a pharmaceutical agent. This compound is likely to exhibit 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 medicinal chemistry, particularly in the development of antimicrobial or antifungal agents, given the biological relevance of triazole derivatives. Additionally, the compound's solubility and reactivity can be influenced by the presence of the fluorine atom and the carboxylic acid group, making it a subject of interest in both synthetic and medicinal chemistry research.

Formula: C₉H₆FN₃O₂

InChI: InChI=1S/C9H6FN3O2/c10-7-3-1-2-6(9(14)15)8(7)13-11-4-5-12-13/h1-5H,(H,14,15)

InChI key: InChIKey=ALACTBSPYZFNIK-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C(F)=CC=C1)N2N=CC=N2

Synonyms:

• 3-Fluoro-2-[1,2,3]triazol-2-ylbenzoic acid
• Benzoic acid, 3-fluoro-2-(2H-1,2,3-triazol-2-yl)-
• 3-Fluoro-2-(2H-1,2,3-triazol-2-yl)benzoic acid