CAS 889939-73-5

1-[(4-Fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

Description:

1-[(4-Fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of a 4-fluorophenyl group enhances its lipophilicity and may influence its biological activity. The triazole moiety is known for its applications in pharmaceuticals, particularly as antifungal and antimicrobial agents. The compound's structure suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Additionally, the fluorine atom can enhance metabolic stability and bioavailability. Its CAS number, 889939-73-5, allows for easy identification in chemical databases. Overall, this compound's unique structural features position it as a candidate for further research in drug development and other applications in organic synthesis.

Formula: C₁₀H₈FN₃O₂

InChI: InChI=1S/C10H8FN3O2/c11-8-3-1-7(2-4-8)5-14-6-9(10(15)16)12-13-14/h1-4,6H,5H2,(H,15,16)

InChI key: InChIKey=RMWPNKWXZUADBT-UHFFFAOYSA-N

SMILES: C(N1C=C(C(O)=O)N=N1)C2=CC=C(F)C=C2

Synonyms:

• 1H-1,2,3-Triazole-4-carboxylic acid, 1-[(4-fluorophenyl)methyl]-
• 1-((4-Fluorophenyl)methyl)-1H-1,2,3-triazole-4-carboxylic acid
• 1-[(4-Fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid
• 1-(4-Fluoro-benzyl)-1H-[1,2,3]triazole-4-carboxylic acid

1-[(4-Fluorophenyl)methyl]-1H-1,2,3-triazole-4-carboxylic acid

CAS: 889939-73-5

Versatile small molecule scaffold

Formula: C₁₀H₈FN₃O₂

Purity: Min. 95%

Molecular weight: 221.19 g/mol

Ref: 3D-PKB93973