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CAS 855991-78-5

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2-[[(5-Methyl-3-isoxazolyl)methyl]thio]-3-pyridinecarboxylic acid

Description:
2-[[(5-Methyl-3-isoxazolyl)methyl]thio]-3-pyridinecarboxylic acid, identified by its CAS number 855991-78-5, is a chemical compound that features a pyridine ring and an isoxazole moiety, indicating its potential biological activity. The presence of a carboxylic acid functional group suggests that it can participate in acid-base reactions and may exhibit polar characteristics, enhancing its solubility in polar solvents. The methyl group on the isoxazole ring can influence the compound's electronic properties and steric hindrance, potentially affecting its reactivity and interaction with biological targets. The thioether linkage contributes to the compound's overall stability and may play a role in its pharmacological properties. This compound is of interest in medicinal chemistry, particularly for its potential applications in drug development, as derivatives of pyridine and isoxazole are often associated with various therapeutic effects. However, detailed studies on its specific biological activity, toxicity, and pharmacokinetics would be necessary to fully understand its potential applications.
Formula:C11H10N2O3S
InChI:InChI=1S/C11H10N2O3S/c1-7-5-8(13-16-7)6-17-10-9(11(14)15)3-2-4-12-10/h2-5H,6H2,1H3,(H,14,15)
InChI key:InChIKey=BKCSWMINXLOCCL-UHFFFAOYSA-N
SMILES:S(CC=1C=C(C)ON1)C2=C(C(O)=O)C=CC=N2
Synonyms:
  • 3-Pyridinecarboxylic acid, 2-[[(5-methyl-3-isoxazolyl)methyl]thio]-
  • 2-[[(5-Methyl-3-isoxazolyl)methyl]thio]-3-pyridinecarboxylic acid
  • 2-(5-Methyl-isoxazol-3-yl)methylthiopyridin-3-carboxylic acid
  • 2-[[(5-METHYLISOXAZOL-3-YL)METHYL]THIO]NICOTINIC ACID
  • 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylic acid
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