CAS 1111115-79-7

3-(1,6-Dihydro-6-oxo-3-pyridinyl)-4-fluorobenzonitrile

Description:

3-(1,6-Dihydro-6-oxo-3-pyridinyl)-4-fluorobenzonitrile, identified by its CAS number 1111115-79-7, is a chemical compound that features a pyridine ring fused with a carbonyl group, contributing to its unique reactivity and potential biological activity. The presence of a fluorine atom on the benzene ring enhances its lipophilicity and may influence its interaction with biological targets. This compound is characterized by its nitrile functional group, which can participate in nucleophilic addition reactions, making it a versatile building block in organic synthesis. Its structural features suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting various diseases. The compound's stability, solubility, and reactivity can be influenced by the electronic effects of the fluorine and the carbonyl group, which may also affect its pharmacokinetic properties. Overall, this compound represents a class of heterocyclic compounds that are of interest for their potential therapeutic applications and as intermediates in chemical synthesis.

Formula: C₁₂H₇FN₂O

InChI: InChI=1S/C12H7FN2O/c13-11-3-1-8(6-14)5-10(11)9-2-4-12(16)15-7-9/h1-5,7H,(H,15,16)

InChI key: InChIKey=BLTWHPUIEFMRON-UHFFFAOYSA-N

SMILES: FC=1C(=CC(C#N)=CC1)C=2C=CC(=O)NC2

Synonyms:

• Benzonitrile, 3-(1,6-dihydro-6-oxo-3-pyridinyl)-4-fluoro-
• 3-(1,6-Dihydro-6-oxo-3-pyridinyl)-4-fluorobenzonitrile