CAS 900019-40-1

[3-Chloro-5-(trifluoromethyl)-2-pyridinyl][5-methyl-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl]methanone

Description:

The chemical substance known as [3-Chloro-5-(trifluoromethyl)-2-pyridinyl][5-methyl-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl]methanone, with the CAS number 900019-40-1, is a complex organic compound characterized by its unique structural features. It contains a pyridine ring substituted with a chloro and a trifluoromethyl group, which contribute to its electronic properties and potential reactivity. Additionally, the molecule features a triazole moiety, which is known for its stability and ability to participate in various chemical reactions, including coordination with metal ions. The presence of trifluoromethyl groups enhances lipophilicity and can influence biological activity, making this compound of interest in pharmaceutical research. Its methanone functional group indicates the presence of a carbonyl, which can participate in nucleophilic addition reactions. Overall, this compound's intricate structure suggests potential applications in medicinal chemistry, particularly in the development of novel therapeutic agents.

Formula: C₁₇H₉ClF₆N₄O

InChI: InChI=1S/C17H9ClF6N4O/c1-8-13(15(29)14-12(18)6-10(7-25-14)17(22,23)24)26-27-28(8)11-4-2-9(3-5-11)16(19,20)21/h2-7H,1H3

InChI key: InChIKey=UNKRVSHOUFUNQI-UHFFFAOYSA-N

SMILES: CC=1N(N=NC1C(=O)C2=C(Cl)C=C(C(F)(F)F)C=N2)C3=CC=C(C(F)(F)F)C=C3

Synonyms:

• Methanone, [3-chloro-5-(trifluoromethyl)-2-pyridinyl][5-methyl-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl]-
• [3-Chloro-5-(trifluoromethyl)-2-pyridinyl][5-methyl-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-4-yl]methanone