CAS 1286793-04-1

3,3-Difluoro-2,3-dihydro-2-oxo-1H-indole-5-carbonitrile

Description:

3,3-Difluoro-2,3-dihydro-2-oxo-1H-indole-5-carbonitrile is a chemical compound characterized by its unique 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 3-position contributes to its distinctive reactivity and potential applications in medicinal chemistry. The carbonitrile functional group at the 5-position enhances its electronic properties, making it a candidate for various chemical reactions and interactions. The compound also features a ketone group, which can participate in hydrogen bonding and influence its solubility and stability. Its molecular structure suggests potential biological activity, making it of interest in drug discovery and development. Additionally, the compound's properties, such as melting point, boiling point, and solubility, would be influenced by the presence of the fluorine atoms and the carbonitrile group, which can affect its interactions with biological systems and solvents. Overall, this compound represents a class of fluorinated indoles that may have significant implications in pharmaceutical research.

Formula: C₉H₄F₂N₂O

InChI: InChI=1S/C9H4F2N2O/c10-9(11)6-3-5(4-12)1-2-7(6)13-8(9)14/h1-3H,(H,13,14)

InChI key: InChIKey=JNJQWSMWQKZHBN-UHFFFAOYSA-N

SMILES: FC1(F)C=2C(NC1=O)=CC=C(C#N)C2

Synonyms:

• 3,3-Difluoro-2,3-dihydro-2-oxo-1H-indole-5-carbonitrile
• 3,3-Difluoro-2-oxo-2,3-dihydro-1H-indole-5-carbonitrile
• 1H-Indole-5-carbonitrile, 3,3-difluoro-2,3-dihydro-2-oxo-