CAS 916210-03-2

2-(Trifluoromethyl)-4-pyrimidinecarbonitrile

Description:

2-(Trifluoromethyl)-4-pyrimidinecarbonitrile, with the CAS number 916210-03-2, is a heterocyclic organic compound characterized by the presence of a pyrimidine ring substituted with a trifluoromethyl group and a cyano group. This compound typically exhibits a pale yellow to light brown appearance and is known for its high stability and low volatility. The trifluoromethyl group contributes to its unique electronic properties, enhancing its lipophilicity and making it a valuable building block in medicinal chemistry and agrochemical applications. The cyano group introduces a strong electron-withdrawing effect, which can influence the reactivity and interaction of the molecule with biological targets. Additionally, this compound may exhibit interesting pharmacological properties, making it a subject of research in drug development. Its synthesis often involves multi-step reactions, and it is important to handle it with care due to potential toxicity associated with fluorinated compounds. Overall, 2-(Trifluoromethyl)-4-pyrimidinecarbonitrile is a significant compound in the field of organic synthesis and pharmaceutical research.

Formula: C₆H₂F₃N₃

InChI: InChI=1S/C6H2F3N3/c7-6(8,9)5-11-2-1-4(3-10)12-5/h1-2H

InChI key: InChIKey=ZRNXPYCYMOJBHG-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1N=C(C#N)C=CN1

Synonyms:

• 2-(Trifluoromethyl)-4-pyrimidinecarbonitrile
• 4-Pyrimidinecarbonitrile, 2-(trifluoromethyl)-