CAS 1105194-31-7

6-[3-(3-Methyl-5-isoxazolyl)propoxy]-3-pyridinecarbonitrile

Description:

6-[3-(3-Methyl-5-isoxazolyl)propoxy]-3-pyridinecarbonitrile, with the CAS number 1105194-31-7, is a chemical compound characterized by its complex structure, which includes a pyridine ring, a carbonitrile group, and an isoxazole moiety. The presence of the isoxazole ring contributes to its potential biological activity, as isoxazoles are often found in pharmaceuticals and agrochemicals. The propoxy group enhances the compound's solubility and may influence its interaction with biological targets. This compound is typically studied for its potential applications in medicinal chemistry, particularly in the development of therapeutic agents. Its specific properties, such as melting point, solubility, and reactivity, would depend on the molecular interactions and the environment in which it is studied. Overall, the unique combination of functional groups in this compound suggests it may exhibit interesting pharmacological properties, warranting further investigation in drug discovery and development contexts.

Formula: C₁₃H₁₃N₃O₂

InChI: InChI=1S/C13H13N3O2/c1-10-7-12(18-16-10)3-2-6-17-13-5-4-11(8-14)9-15-13/h4-5,7,9H,2-3,6H2,1H3

InChI key: InChIKey=BGQKDBLHHIKUPD-UHFFFAOYSA-N

SMILES: O(CCCC1=CC(C)=NO1)C2=CC=C(C#N)C=N2

Synonyms:

• 3-Pyridinecarbonitrile, 6-[3-(3-methyl-5-isoxazolyl)propoxy]-
• 6-[3-(3-Methyl-5-isoxazolyl)propoxy]-3-pyridinecarbonitrile