CAS 80242-23-5

5-(2,2,2-Trichloroacetyl)-1H-pyrrole-3-carbonitrile

Description:

5-(2,2,2-Trichloroacetyl)-1H-pyrrole-3-carbonitrile is a chemical compound characterized by its unique structure, which includes a pyrrole ring substituted with a trichloroacetyl group and a cyano group. The presence of the trichloroacetyl moiety contributes to its reactivity and potential applications in organic synthesis and medicinal chemistry. This compound is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions. Its molecular structure suggests potential for interactions with biological systems, making it of interest in pharmaceutical research. The cyano group enhances its polarity, which can influence solubility in various solvents. Additionally, the compound may exhibit specific spectral characteristics in techniques such as NMR and IR spectroscopy, aiding in its identification and characterization. Safety data should be consulted, as the trichloroacetyl group indicates potential toxicity and environmental concerns. Overall, this compound represents a valuable entity in the field of synthetic organic chemistry and may have implications in drug development.

Formula: C₇H₃Cl₃N₂O

InChI: InChI=1S/C7H3Cl3N2O/c8-7(9,10)6(13)5-1-4(2-11)3-12-5/h1,3,12H

InChI key: InChIKey=GZOKBSGKQFQHRS-UHFFFAOYSA-N

SMILES: C(C(Cl)(Cl)Cl)(=O)C1=CC(C#N)=CN1

Synonyms:

• 1H-Pyrrole-3-carbonitrile, 5-(2,2,2-trichloroacetyl)-
• 1H-Pyrrole-3-carbonitrile, 5-(trichloroacetyl)-
• 5-(2,2,2-Trichloroacetyl)-1H-pyrrole-3-carbonitrile
• 2-Trichloroacetylpyrrole-4-carbonitrile