CAS 1256463-60-1

5-Chloro-8-isoquinolinecarbonitrile

Description:

5-Chloro-8-isoquinolinecarbonitrile is a chemical compound characterized by its isoquinoline structure, which is a bicyclic aromatic compound featuring a nitrogen atom in the ring. This substance contains a chloro substituent at the 5-position and a cyano group at the 8-position, contributing to its unique reactivity and properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific solvent's polarity. The presence of the cyano group enhances its potential for nucleophilic reactions, making it useful in various synthetic applications, particularly in medicinal chemistry and the development of pharmaceuticals. Additionally, the chlorine atom can influence the compound's electronic properties and reactivity, potentially affecting its biological activity. As with many nitrogen-containing heterocycles, 5-Chloro-8-isoquinolinecarbonitrile may also exhibit interesting photophysical properties, making it a candidate for studies in materials science and organic electronics. Safety data should be consulted for handling and storage, as with all chemical substances.

Formula: C₁₀H₅ClN₂

InChI: InChI=1S/C10H5ClN2/c11-10-2-1-7(5-12)9-6-13-4-3-8(9)10/h1-4,6H

InChI key: InChIKey=OVKVTVPYKXBVAT-UHFFFAOYSA-N

SMILES: C(#N)C=1C2=C(C(Cl)=CC1)C=CN=C2

Synonyms:

• 8-Isoquinolinecarbonitrile, 5-chloro-
• 5-Chloro-8-isoquinolinecarbonitrile