CAS 1261914-58-2

Methyl 2-chloro-5-(4-hydroxy-2-pyridinyl)benzoate

Description:

Methyl 2-chloro-5-(4-hydroxy-2-pyridinyl)benzoate, identified by its CAS number 1261914-58-2, is an organic compound characterized by its complex structure, which includes a benzoate moiety, a chlorine substituent, and a pyridine ring with a hydroxyl group. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, including potential solubility in organic solvents and moderate polarity due to the presence of the hydroxyl group. The chlorine atom introduces electrophilic characteristics, which may influence its reactivity in various chemical reactions, such as nucleophilic substitutions. The hydroxyl group on the pyridine ring can participate in hydrogen bonding, affecting its physical properties and interactions with biological systems. Methyl 2-chloro-5-(4-hydroxy-2-pyridinyl)benzoate may have applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that can interact with biological targets. As with many chemical substances, safety data and handling precautions should be considered when working with this compound.

Formula: C₁₃H₁₀ClNO₃

InChI: InChI=1S/C13H10ClNO3/c1-18-13(17)10-6-8(2-3-11(10)14)12-7-9(16)4-5-15-12/h2-7H,1H3,(H,15,16)

InChI key: InChIKey=QKEIVKMPOZRXRJ-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=C(C=CC1Cl)C2=CC(O)=CC=N2

Synonyms:

• Benzoic acid, 2-chloro-5-(4-hydroxy-2-pyridinyl)-, methyl ester
• Methyl 2-chloro-5-(4-hydroxy-2-pyridinyl)benzoate