CAS 944897-50-1

3-(2-Fluorophenyl)-1H-1,2,4-triazole-5-carboxylic acid

Description:

3-(2-Fluorophenyl)-1H-1,2,4-triazole-5-carboxylic acid is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. The presence of a carboxylic acid functional group (-COOH) contributes to its acidity and potential reactivity in various chemical reactions. The fluorophenyl substituent enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. This compound is typically used in the synthesis of other chemical entities and may exhibit properties such as antimicrobial or antifungal activity, depending on its specific interactions with biological targets. Its molecular structure allows for various functionalization possibilities, which can be explored for developing new therapeutic agents. Additionally, the compound's stability, solubility, and reactivity can be influenced by the presence of the fluorine atom, which can affect electronic properties and steric hindrance. Overall, 3-(2-Fluorophenyl)-1H-1,2,4-triazole-5-carboxylic acid is a versatile compound with potential applications in medicinal chemistry and material science.

Formula: C₉H₆FN₃O₂

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

InChI key: InChIKey=VHANVYQYIJPGAX-UHFFFAOYSA-N

SMILES: FC1=C(C=CC=C1)C=2NC(C(O)=O)=NN2

Synonyms:

• 3-(2-Fluorophenyl)-1H-1,2,4-triazole-5-carboxylic acid
• 1H-1,2,4-Triazole-5-carboxylic acid, 3-(2-fluorophenyl)-