CAS 1311278-79-1

4-[6-Methyl-4-(trifluoromethyl)-2-pyridinyl]benzoic acid

Description:

4-[6-Methyl-4-(trifluoromethyl)-2-pyridinyl]benzoic acid, identified by its CAS number 1311278-79-1, is a chemical compound characterized by its complex structure that includes a benzoic acid moiety and a pyridine ring. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The methyl group on the pyridine ring can affect the compound's electronic properties and steric hindrance. This compound is likely to exhibit moderate solubility in organic solvents and limited solubility in water due to the hydrophobic nature of the aromatic and trifluoromethyl groups. Its acidic nature is attributed to the carboxylic acid functional group, which can participate in hydrogen bonding and affect its reactivity. Overall, this compound may have applications in medicinal chemistry, particularly in the development of new therapeutic agents, owing to its unique structural features and potential biological activities.

Formula: C₁₄H₁₀F₃NO₂

InChI: InChI=1S/C14H10F3NO2/c1-8-6-11(14(15,16)17)7-12(18-8)9-2-4-10(5-3-9)13(19)20/h2-7H,1H3,(H,19,20)

InChI key: InChIKey=ZOMVTKHGOUZLST-UHFFFAOYSA-N

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

Synonyms:

• 4-[6-Methyl-4-(trifluoromethyl)-2-pyridinyl]benzoic acid
• Benzoic acid, 4-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-

4-[6-Methyl-4-(trifluoromethyl)pyridin-2-yl]benzoic acid

CAS: 1311278-79-1

Formula: C₁₄H₁₀F₃NO₂

Purity: 95.0%

Molecular weight: 281.234

Ref: 10-F317188