CAS 133057-85-9

3′-Fluoro-4′-hydroxy[1,1′-biphenyl]-4-carbonitrile

Description:

3′-Fluoro-4′-hydroxy[1,1′-biphenyl]-4-carbonitrile, with the CAS number 133057-85-9, is a chemical compound characterized by its biphenyl structure, which consists of two phenyl rings connected by a single bond. The presence of a fluorine atom at the 3′ position and a hydroxyl group at the 4′ position on one of the phenyl rings contributes to its unique chemical properties, including potential reactivity and solubility characteristics. The carbonitrile functional group at the 4 position introduces a polar and electron-withdrawing feature, which can influence the compound's behavior in various chemical reactions and its interactions with biological systems. This compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry and drug development. Its specific characteristics, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the overall structure, which can be further explored through experimental studies or computational modeling.

Formula: C₁₃H₈FNO

InChI: InChI=1S/C13H8FNO/c14-12-7-11(5-6-13(12)16)10-3-1-9(8-15)2-4-10/h1-7,16H

InChI key: InChIKey=QHNXPYROGGWQDV-UHFFFAOYSA-N

SMILES: FC=1C=C(C2=CC=C(C#N)C=C2)C=CC1O

Synonyms:

• [1,1′-Biphenyl]-4-carbonitrile, 3′-fluoro-4′-hydroxy-
• 3′-Fluoro-4′-hydroxy[1,1′-biphenyl]-4-carbonitrile