CAS 2055119-00-9

1,3-Dimethyl 2-[3-cyano-5-(trifluoromethyl)-2-pyridinyl]propanedioate

Description:

1,3-Dimethyl 2-[3-cyano-5-(trifluoromethyl)-2-pyridinyl]propanedioate, with the CAS number 2055119-00-9, is a chemical compound characterized by its complex structure, which includes a pyridine ring substituted with a cyano group and a trifluoromethyl group. This compound features a propanedioate backbone, which is further substituted with two methyl groups at the 1 and 3 positions. The presence of the cyano group contributes to its potential reactivity, while the trifluoromethyl group enhances its lipophilicity and may influence its biological activity. The compound is likely to exhibit polar characteristics due to the cyano and ester functionalities, making it soluble in polar solvents. Its unique structure suggests potential applications in pharmaceuticals or agrochemicals, particularly in the development of compounds with specific biological activities. As with many organic compounds, safety and handling precautions should be observed, as the trifluoromethyl group can impart toxicity and environmental concerns.

Formula: C₁₂H₉F₃N₂O₄

InChI: InChI=1S/C12H9F3N2O4/c1-20-10(18)8(11(19)21-2)9-6(4-16)3-7(5-17-9)12(13,14)15/h3,5,8H,1-2H3

InChI key: InChIKey=ZJGFKRBBQGSZLY-UHFFFAOYSA-N

SMILES: C(C(OC)=O)(C(OC)=O)C1=C(C#N)C=C(C(F)(F)F)C=N1

Synonyms:

• Propanedioic acid, 2-[3-cyano-5-(trifluoromethyl)-2-pyridinyl]-, 1,3-dimethyl ester
• 1,3-Dimethyl 2-[3-cyano-5-(trifluoromethyl)-2-pyridinyl]propanedioate