CAS 1261913-08-9

3-[2-(Methylthio)phenyl]-4-pyridinecarboxylic acid

Description:

3-[2-(Methylthio)phenyl]-4-pyridinecarboxylic acid, identified by its CAS number 1261913-08-9, is an organic compound characterized by its complex structure, which includes a pyridine ring and a phenyl group substituted with a methylthio group. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, such as stability and potential for various chemical reactions. The presence of the carboxylic acid functional group suggests it can participate in acid-base reactions and may exhibit polar characteristics, influencing its solubility in different solvents. Additionally, the methylthio group can enhance the compound's reactivity and may play a role in biological activity, making it of interest in pharmaceutical research. The compound's molecular interactions, including hydrogen bonding and π-π stacking, can affect its behavior in biological systems and materials science. Overall, 3-[2-(Methylthio)phenyl]-4-pyridinecarboxylic acid is a versatile compound with potential applications in medicinal chemistry and organic synthesis.

Formula: C₁₃H₁₁NO₂S

InChI: InChI=1S/C13H11NO2S/c1-17-12-5-3-2-4-9(12)11-8-14-7-6-10(11)13(15)16/h2-8H,1H3,(H,15,16)

InChI key: InChIKey=XOPYWYDGMXGZTP-UHFFFAOYSA-N

SMILES: S(C)C1=C(C=CC=C1)C=2C(C(O)=O)=CC=NC2

Synonyms:

• 4-Pyridinecarboxylic acid, 3-[2-(methylthio)phenyl]-
• 3-[2-(Methylthio)phenyl]-4-pyridinecarboxylic acid