CAS 1293285-05-8

3-Fluoro-2-(2-pyrimidinyl)benzonitrile

Description:

3-Fluoro-2-(2-pyrimidinyl)benzonitrile is an organic compound characterized by its aromatic structure, which includes a fluorine atom and a pyrimidine ring. The presence of the fluorine atom typically enhances the compound's lipophilicity and can influence its reactivity and biological activity. The benzonitrile moiety contributes to its potential applications in pharmaceuticals and agrochemicals, as nitriles are often involved in various chemical reactions, including nucleophilic additions and cycloadditions. The pyrimidine ring, a six-membered heterocycle containing nitrogen atoms, is known for its role in biological systems, particularly in nucleic acids and as a building block for various drugs. This compound may exhibit interesting properties such as fluorescence or specific binding affinities, making it a candidate for research in medicinal chemistry. Its unique structure suggests potential applications in drug development, particularly in targeting specific biological pathways or receptors. As with many fluorinated compounds, it may also possess enhanced metabolic stability, which is advantageous in therapeutic contexts.

Formula: C₁₁H₆FN₃

InChI: InChI=1S/C11H6FN3/c12-9-4-1-3-8(7-13)10(9)11-14-5-2-6-15-11/h1-6H

InChI key: InChIKey=JGBSDYQSGSBVTP-UHFFFAOYSA-N

SMILES: C(#N)C1=C(C(F)=CC=C1)C=2N=CC=CN2

Synonyms:

• 3-Fluoro-2-(pyrimidin-2-yl)benzonitrile
• 3-Fluoro-2-(2-pyrimidinyl)benzonitrile
• Benzonitrile, 3-fluoro-2-(2-pyrimidinyl)-