CAS 1020569-99-6

4-Isoxazolecarboxylic acid, 5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-

Description:

4-Isoxazolecarboxylic acid, 5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-, identified by CAS number 1020569-99-6, is a chemical compound characterized by its unique structural features, including an isoxazole ring and a pyridine moiety. The presence of the cyclopropyl group contributes to its three-dimensional structure, potentially influencing its biological activity and reactivity. The dichloro substitution on the pyridine ring enhances its electronic properties, which may affect its interaction with biological targets. This compound is likely to exhibit acidic properties due to the carboxylic acid functional group, making it soluble in polar solvents. Its potential applications may include roles in pharmaceuticals or agrochemicals, where such heterocyclic compounds are often explored for their biological activities. The specific characteristics, such as melting point, boiling point, and solubility, would depend on the compound's purity and the conditions under which they are measured. Overall, this compound represents a class of heterocyclic compounds with potential significance in medicinal chemistry.

Formula: C₁₂H₈Cl₂N₂O₃

InChI: InChI=1S/C12H8Cl2N2O3/c13-6-3-15-4-7(14)8(6)10-9(12(17)18)11(19-16-10)5-1-2-5/h3-5H,1-2H2,(H,17,18)

InChI key: InChIKey=MFDMGPSXATVIKT-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C(=NOC1C2CC2)C=3C(Cl)=CN=CC3Cl

Synonyms:

• 5-Cyclopropyl-3-(3,5-dichloro-4-pyridinyl)isoxazole-4-carboxylic acid
• 4-Isoxazolecarboxylic acid, 5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)-