CAS 847943-54-8

1,1-Dimethylethyl 6-chloro-5-hydroxy-3-pyridinecarboxylate

Description:

1,1-Dimethylethyl 6-chloro-5-hydroxy-3-pyridinecarboxylate, identified by its CAS number 847943-54-8, is a chemical compound that belongs to the class of pyridinecarboxylates. This substance features a pyridine ring substituted with a hydroxyl group and a chloro group, contributing to its potential biological activity. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its lipophilicity, which may influence its solubility and permeability in biological systems. The hydroxyl group can participate in hydrogen bonding, potentially affecting its reactivity and interactions with other molecules. Additionally, the chloro substituent may impart unique electronic properties, influencing the compound's overall stability and reactivity. This compound may be of interest in medicinal chemistry and pharmacology due to its structural features, which could be relevant for developing therapeutic agents. However, specific applications, biological activities, and safety profiles would require further investigation through empirical studies and literature review.

Formula: C₁₀H₁₂ClNO₃

InChI: InChI=1S/C10H12ClNO3/c1-10(2,3)15-9(14)6-4-7(13)8(11)12-5-6/h4-5,13H,1-3H3

InChI key: InChIKey=VPSMSWLXFYYEAB-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)C=1C=C(O)C(Cl)=NC1

Synonyms:

• 3-Pyridinecarboxylic acid, 6-chloro-5-hydroxy-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 6-chloro-5-hydroxy-3-pyridinecarboxylate