CAS 113237-21-1

6-(4-Acetyl-1-piperazinyl)-2-chloro-5-fluoro-3-pyridinecarbonitrile

Description:

6-(4-Acetyl-1-piperazinyl)-2-chloro-5-fluoro-3-pyridinecarbonitrile, with the CAS number 113237-21-1, is a chemical compound characterized by its complex structure, which includes a pyridine ring substituted with a chloro and a fluoro group, as well as a piperazine moiety. The presence of the acetyl group on the piperazine enhances its potential for biological activity, making it of interest in pharmaceutical research. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential interactions with biological targets, which could be explored for therapeutic applications. The presence of the nitrile functional group may also contribute to its reactivity and stability under various conditions. Overall, this compound represents a class of heterocyclic compounds that are often investigated for their pharmacological properties, particularly in the development of new drugs.

Formula: C₁₂H₁₂ClFN₄O

InChI: InChI=1S/C12H12ClFN4O/c1-8(19)17-2-4-18(5-3-17)12-10(14)6-9(7-15)11(13)16-12/h6H,2-5H2,1H3

InChI key: InChIKey=IHECUHYXUSTMBQ-UHFFFAOYSA-N

SMILES: FC1=C(N=C(Cl)C(C#N)=C1)N2CCN(C(C)=O)CC2

Synonyms:

• Piperazine, 1-acetyl-4-(6-chloro-5-cyano-3-fluoro-2-pyridinyl)-
• 3-Pyridinecarbonitrile, 6-(4-acetyl-1-piperazinyl)-2-chloro-5-fluoro-
• 6-(4-Acetyl-1-piperazinyl)-2-chloro-5-fluoro-3-pyridinecarbonitrile