CAS 1256788-85-8

2-Methoxy-6-(trifluoromethyl)-4-pyridinecarbonitrile

Description:

2-Methoxy-6-(trifluoromethyl)-4-pyridinecarbonitrile is a chemical compound characterized by its pyridine ring structure, which is substituted at the 2 and 6 positions with a methoxy group and a trifluoromethyl group, respectively, and a cyano group at the 4 position. This compound is typically a solid at room temperature and is known for its polar nature due to the presence of the cyano and methoxy groups, which can influence its solubility in various solvents. The trifluoromethyl group imparts unique electronic properties, enhancing the compound's reactivity and potential applications in pharmaceuticals and agrochemicals. Its molecular structure suggests potential for hydrogen bonding and dipole interactions, which can affect its physical properties such as melting point and boiling point. Additionally, the presence of fluorine atoms often contributes to increased lipophilicity and metabolic stability, making this compound of interest in medicinal chemistry. Safety data and handling precautions should be considered, as with any chemical substance, due to potential toxicity or environmental impact.

Formula: C₈H₅F₃N₂O

InChI: InChI=1S/C8H5F3N2O/c1-14-7-3-5(4-12)2-6(13-7)8(9,10)11/h2-3H,1H3

InChI key: InChIKey=NICXSTIYHCUWEU-UHFFFAOYSA-N

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

Synonyms:

• 4-Pyridinecarbonitrile, 2-methoxy-6-(trifluoromethyl)-
• 2-Methoxy-6-(trifluoromethyl)-4-pyridinecarbonitrile