CAS 887408-17-5

5-(2-Nitrophenyl)-4-isoxazolecarboxylic acid

Description:

5-(2-Nitrophenyl)-4-isoxazolecarboxylic acid is an organic compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen atoms. The presence of a nitrophenyl group indicates that there is a nitro substituent on a phenyl ring, contributing to the compound's potential reactivity and biological activity. This compound typically exhibits properties such as moderate solubility in organic solvents and may have limited solubility in water, depending on the pH of the solution. The carboxylic acid functional group (-COOH) imparts acidic characteristics, allowing for proton donation in aqueous environments. This compound may be of interest in pharmaceutical research due to its potential biological activities, including anti-inflammatory or antimicrobial properties. Additionally, its unique structure may facilitate interactions with biological targets, making it a candidate for further investigation in medicinal chemistry. As with many organic compounds, safety and handling precautions should be observed, particularly due to the presence of the nitro group, which can be associated with toxicity and environmental concerns.

Formula: C₁₀H₆N₂O₅

InChI: InChI=1S/C10H6N2O5/c13-10(14)7-5-11-17-9(7)6-3-1-2-4-8(6)12(15)16/h1-5H,(H,13,14)

InChI key: InChIKey=FNMMFOKHRPFPSU-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(ON=C1)C2=C(N(=O)=O)C=CC=C2

Synonyms:

• 5-(2-Nitrophenyl)-4-isoxazolecarboxylic acid
• 4-Isoxazolecarboxylic acid, 5-(2-nitrophenyl)-