CAS 1159976-98-3

3-Pyridinemethanol, 4-chloro-5,6-dimethyl-, 3-acetate, 1-oxide

Description:

3-Pyridinemethanol, 4-chloro-5,6-dimethyl-, 3-acetate, 1-oxide, identified by its CAS number 1159976-98-3, is a chemical compound that features a pyridine ring substituted with various functional groups. This compound is characterized by the presence of a hydroxymethyl group, a chloro substituent at the 4-position, and two methyl groups at the 5 and 6 positions of the pyridine ring. Additionally, it contains an acetate group and an oxide functionality, which suggests potential reactivity and applications in organic synthesis or medicinal chemistry. The presence of the chloro group may impart specific electronic properties, influencing the compound's reactivity and interactions with biological targets. The molecular structure indicates that it may exhibit polar characteristics due to the hydroxymethyl and acetate groups, which could affect its solubility in various solvents. Overall, this compound's unique structural features may make it of interest in research and development within the fields of pharmaceuticals or agrochemicals.

Formula: C₁₀H₁₂ClNO₃

InChI: InChI=1S/C10H12ClNO3/c1-6-7(2)12(14)4-9(10(6)11)5-15-8(3)13/h4H,5H2,1-3H3

InChI key: InChIKey=RKPWKVGMLBEXFA-UHFFFAOYSA-N

SMILES: C(OC(C)=O)C=1C(Cl)=C(C)C(C)=N(=O)C1

Synonyms:

• 3-Pyridinemethanol, 4-chloro-5,6-dimethyl-, 3-acetate, 1-oxide