CAS 1292317-53-3

5-(2-Chloro-4-pyrimidinyl)-2-hydroxybenzonitrile

Description:

5-(2-Chloro-4-pyrimidinyl)-2-hydroxybenzonitrile, identified by its CAS number 1292317-53-3, is a chemical compound characterized by its unique structural features. It contains a pyrimidine ring substituted with a chlorine atom at the 2-position and a hydroxyl group at the 2-position of a benzene ring, which is further substituted with a nitrile group. This compound is typically classified as an aromatic heterocyclic compound due to the presence of the pyrimidine moiety. Its molecular structure suggests potential applications in pharmaceuticals, particularly in the development of compounds with biological activity, such as anti-cancer or anti-inflammatory agents. The presence of both the hydroxyl and nitrile functional groups may contribute to its reactivity and solubility properties. Additionally, the chlorine substituent can influence the compound's electronic properties and interactions with biological targets. Overall, this compound's unique combination of functional groups makes it a subject of interest in medicinal chemistry and related fields.

Formula: C₁₁H₆ClN₃O

InChI: InChI=1S/C11H6ClN3O/c12-11-14-4-3-9(15-11)7-1-2-10(16)8(5-7)6-13/h1-5,16H

InChI key: InChIKey=NKHWXMGRHDHNQI-UHFFFAOYSA-N

SMILES: C(#N)C=1C=C(C=CC1O)C2=NC(Cl)=NC=C2

Synonyms:

• Benzonitrile, 5-(2-chloro-4-pyrimidinyl)-2-hydroxy-
• 5-(2-Chloro-4-pyrimidinyl)-2-hydroxybenzonitrile