CAS 93468-89-4

Methyl 1,4-dihydro-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3-pyridinecarboxylate

Description:

Methyl 1,4-dihydro-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3-pyridinecarboxylate, with CAS number 93468-89-4, is a chemical compound characterized by its complex structure, which includes a pyridine ring and various functional groups such as a nitro group and a trifluoromethyl group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential reactivity and solubility in organic solvents. The presence of the nitro group suggests it may have applications in pharmaceuticals or agrochemicals, as nitro compounds often exhibit biological activity. The trifluoromethyl group enhances lipophilicity, potentially influencing the compound's interaction with biological membranes. Additionally, the methyl ester functional group indicates that it can undergo hydrolysis to yield the corresponding carboxylic acid. Overall, this compound's unique structural features may lead to interesting chemical behavior and applications in various fields, including medicinal chemistry and materials science.

Formula: C₁₆H₁₅F₃N₂O₄

InChI: InChI=1S/C16H15F3N2O4/c1-8-12(15(22)25-3)13(14(21(23)24)9(2)20-8)10-6-4-5-7-11(10)16(17,18)19/h4-7,13,20H,1-3H3

InChI key: InChIKey=ZFLWDHHVRRZMEI-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C(C(N(=O)=O)=C(C)NC1C)C2=C(C(F)(F)F)C=CC=C2

Synonyms:

• BAY-k 8644
• Methyl 1,4-dihydro-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-3-pyridinecarboxylate
• 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-, methyl ester
• BK 8644
• SQ 28873