CAS 1217862-29-7

3-[(2-Chloro-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one

Description:

3-[(2-Chloro-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one, with the CAS number 1217862-29-7, is a chemical compound characterized by its unique structural features, including a cyclohexenone core and a pyridine ring substituted with a chlorine atom. This compound typically exhibits properties associated with both aromatic and aliphatic systems, which can influence its reactivity and interactions. The presence of the amino group suggests potential for hydrogen bonding, while the chlorinated pyridine moiety may impart specific electronic characteristics, enhancing its biological activity. Such compounds are often investigated for their potential pharmacological applications, particularly in medicinal chemistry, due to their ability to interact with biological targets. Additionally, the dimethyl substitution on the cyclohexenone structure may affect the compound's steric and electronic properties, influencing its solubility and stability. Overall, this compound represents a class of organic molecules that may have significant implications in drug development and other chemical applications.

Formula: C₁₃H₁₅ClN₂O

InChI: InChI=1S/C13H15ClN2O/c1-13(2)7-9(6-10(17)8-13)16-11-4-3-5-15-12(11)14/h3-6,16H,7-8H2,1-2H3

InChI key: InChIKey=HOEHDMJRGXLUEV-UHFFFAOYSA-N

SMILES: N(C=1CC(C)(C)CC(=O)C1)C2=C(Cl)N=CC=C2

Synonyms:

• 3-[(2-Chloro-3-pyridinyl)amino]-5,5-dimethyl-2-cyclohexen-1-one
• 2-Cyclohexen-1-one, 3-[(2-chloro-3-pyridinyl)amino]-5,5-dimethyl-