CAS 1214336-05-6

3-Pyridinecarboxylic acid, 5,6-difluoro-, methyl ester

Description:

3-Pyridinecarboxylic acid, 5,6-difluoro-, methyl ester, identified by its CAS number 1214336-05-6, is an organic compound characterized by its pyridine ring structure substituted with carboxylic acid and methyl ester functional groups. The presence of difluoro substituents at the 5 and 6 positions of the pyridine ring enhances its chemical reactivity and influences its physical properties, such as solubility and boiling point. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in organic solvents like ethanol and acetone, while its solubility in water may be limited due to the hydrophobic nature of the aromatic ring. The difluoro groups can impart unique electronic properties, making it of interest in medicinal chemistry and material science. Additionally, the compound may exhibit biological activity, which could be explored for potential applications in pharmaceuticals or agrochemicals. Proper handling and storage are essential due to its chemical nature and potential reactivity.

Formula: C₇H₅F₂NO₂

InChI: InChI=1S/C7H5F2NO2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3

InChI key: InChIKey=JKYOTYZHOIXXGL-UHFFFAOYSA-N

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

Synonyms:

• Methyl 5,6-difluoropyridine-3-carboxylate
• 3-Pyridinecarboxylic acid, 5,6-difluoro-, methyl ester