CAS 1027345-27-2

2-Nitro-4-(1-piperazinyl)benzonitrile

Description:

2-Nitro-4-(1-piperazinyl)benzonitrile is a chemical compound characterized by its structural features, which include a nitro group and a piperazine moiety attached to a benzonitrile framework. This compound typically exhibits a pale yellow to off-white solid appearance and is soluble in organic solvents, reflecting its aromatic nature. The presence of the nitro group contributes to its potential as a pharmacophore in medicinal chemistry, while the piperazine ring may enhance its biological activity and interaction with various receptors. The compound's molecular structure suggests it may participate in hydrogen bonding and other intermolecular interactions, influencing its reactivity and stability. Additionally, it may exhibit specific biological activities, making it of interest in drug development and research. Safety data should be consulted for handling and exposure guidelines, as compounds with nitro groups can sometimes be associated with toxicity or environmental concerns. Overall, 2-Nitro-4-(1-piperazinyl)benzonitrile represents a versatile structure in the realm of organic and medicinal chemistry.

Formula: C₁₁H₁₂N₄O₂

InChI: InChI=1S/C11H12N4O2/c12-8-9-1-2-10(7-11(9)15(16)17)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2

InChI key: InChIKey=WBLDCLZWAOZUAW-UHFFFAOYSA-N

SMILES: N(=O)(=O)C=1C=C(C=CC1C#N)N2CCNCC2

Synonyms:

• 2-Nitro-4-(1-piperazinyl)benzonitrile
• Benzonitrile, 2-nitro-4-(1-piperazinyl)-