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CAS 1375064-46-2

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3-Isoxazolecarboxylic acid, 5-(3-pyridinyl)-, methyl ester

Description:
3-Isoxazolecarboxylic acid, 5-(3-pyridinyl)-, methyl ester is a chemical compound characterized by its isoxazole ring structure, which is a five-membered heterocyclic compound containing both nitrogen and oxygen. This compound features a carboxylic acid functional group that is esterified with methanol, resulting in a methyl ester. The presence of a pyridine ring, specifically at the 5-position of the isoxazole, contributes to its potential biological activity and solubility properties. Generally, compounds of this nature may exhibit various pharmacological effects, making them of interest in medicinal chemistry. The molecular structure suggests that it may participate in hydrogen bonding due to the carboxylic acid moiety, influencing its reactivity and interactions with biological targets. Additionally, the compound's stability, solubility, and reactivity can be influenced by the substituents on the isoxazole and pyridine rings. Overall, this compound represents a class of heterocyclic compounds that may have applications in drug development and other chemical research fields.
Formula:C10H8N2O3
InChI:InChI=1S/C10H8N2O3/c1-14-10(13)8-5-9(15-12-8)7-3-2-4-11-6-7/h2-6H,1H3
InChI key:InChIKey=IJYBKCVFGWEEKG-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C=C(ON1)C=2C=CC=NC2
Synonyms:
  • Methyl 5-(pyridin-3-yl)isoxazole-3-carboxylate
  • 3-Isoxazolecarboxylic acid, 5-(3-pyridinyl)-, methyl ester
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