Methyl 5-(3-Pyridyl)isoxazole-3-carboxylate
Product Specifications
- CAS
- 1375064-46-2
- MF
- C10H8N2O3
- Appearance
- yellow to off-white solid
- Synonym(s)
- methyl 5-(pyridin-3-yl)-1,2-oxazole-3-carboxylate; 3-Isoxazolecarboxylic acid, 5-(3-pyridinyl)-, methyl ester; Methyl 5-(3-pyridinyl)-1,2-oxazole-3-carboxylate
- Shipping
- ambient temperature
- Storage
- 2-8°C
Methyl 5-(3-Pyridyl)isoxazole-3-carboxylate has CAS 1375064-46-2, molecular formula C10H8N2O3, and molecular weight 204.18. PubChem returns one compound for the CAS, CID 70890061. The verified atom sequence is represented by SMILES COC(=O)C1=NOC(=C1)C2=CN=CC=C2. InChIKey IJYBKCVFGWEEKG-UHFFFAOYSA-N links to the same single-component molecular graph.
The five-membered isoxazole ring contains adjacent nitrogen and oxygen atoms. A methyl carboxylate is attached at isoxazole position 3, while position 5 connects to the 3 position of a pyridyl ring. The second nitrogen is therefore in the pyridine ring, and the remaining two oxygens form the carboxylate ester. “Methyl” belongs to that ester and is not a separate ring methyl group. The 5-(3-pyridyl) and 3-carboxylate locants together distinguish this record from regioisomeric isoxazoles with the same elemental composition. The verified representation contains no separate ionic component.
When submitting an inquiry to Rlavie, state the full locanted name, CAS 1375064-46-2, and the requested quantity. Include a MOL or SDF structure file so both heterocycles and the ester attachment can be checked against PubChem CID 70890061, SMILES COC(=O)C1=NOC(=C1)C2=CN=CC=C2, and InChIKey IJYBKCVFGWEEKG-UHFFFAOYSA-N. That identity check should precede any request-specific information. A phrase such as “pyridyl isoxazole carboxylate” omits three critical locants, so it cannot by itself distinguish this molecular graph from another ring-connection pattern.