CAS 1227578-80-4

4,7-Difluoro-1H-indole-3-acetonitrile

Description:

4,7-Difluoro-1H-indole-3-acetonitrile is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. The presence of two fluorine atoms at the 4 and 7 positions of the indole ring contributes to its unique electronic properties and potential reactivity. The acetonitrile functional group at the 3 position introduces a nitrile (-C≡N) moiety, which is known for its polar character and ability to participate in various chemical reactions, including nucleophilic additions and substitutions. This compound may exhibit interesting biological activities due to its structural features, making it a candidate for pharmaceutical research. Additionally, the fluorine substituents can enhance lipophilicity and metabolic stability, which are desirable traits in drug development. Overall, 4,7-Difluoro-1H-indole-3-acetonitrile is a versatile compound with potential applications in medicinal chemistry and materials science.

Formula: C₁₀H₆F₂N₂

InChI: InChI=1S/C10H6F2N2/c11-7-1-2-8(12)10-9(7)6(3-4-13)5-14-10/h1-2,5,14H,3H2

InChI key: InChIKey=COKAVBHFRQWPHL-UHFFFAOYSA-N

SMILES: C(C#N)C=1C=2C(=C(F)C=CC2F)NC1

Synonyms:

• 4,7-Difluoro-1H-indole-3-acetonitrile
• 1H-Indole-3-acetonitrile, 4,7-difluoro-