CAS 42780-48-3

[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile

Description:

[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile, with the CAS number 42780-48-3, is a chemical compound characterized by its pyrrole structure, which is a five-membered aromatic ring containing nitrogen. This compound features a 4-chlorophenyl group, indicating the presence of a chlorine atom on a phenyl ring, which can influence its reactivity and biological activity. The dimethyl substitutions at the 2 and 5 positions of the pyrrole ring contribute to its steric and electronic properties. The acetonitrile functional group (-C≡N) attached to the pyrrole enhances its potential for various chemical reactions, including nucleophilic substitutions and coordination with metal ions. This compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its solubility, stability, and reactivity can vary based on the solvent and environmental conditions. Overall, the unique combination of functional groups in this molecule suggests potential applications in pharmaceuticals and organic synthesis.

Formula: C₁₄H₁₃ClN₂

InChI: InChI=1/C14H13ClN2/c1-10-9-12(7-8-16)11(2)17(10)14-5-3-13(15)4-6-14/h3-6,9H,7H2,1-2H3

SMILES: Cc1cc(CC#N)c(C)n1c1ccc(cc1)Cl

2-[1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acetonitrile

CAS: 42780-48-3

Versatile small molecule scaffold

Formula: C₁₄H₁₃ClN₂

Purity: Min. 95%

Molecular weight: 244.72 g/mol

Ref: 3D-SBA78048