ethyl 2-methoxy-6-methylpyridine-4-carboxylate

• ChemBase ID: 799116
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: O(C(=O)c1cc(nc(c1)C)OC)CC
• Canonical SMILES: CCOC(=O)c1cc(C)nc(c1)OC
• InChI: InChI=1S/C10H13NO3/c1-4-14-10(12)8-5-7(2)11-9(6-8)13-3/h5-6H,4H2,1-3H3
• InChIKey: XOQKKGJELOPPNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-methoxy-6-methylpyridine-4-carboxylate
• IUPAC Traditional name: ethyl 2-methoxy-6-methylpyridine-4-carboxylate
• Synonyms: ethyl 2-methoxy-6-methylisonicotinate

Database IDs

• CAS Number: 262296-07-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6838303
• LogD (pH = 7.4): 1.6840124
• Log P: 1.6840148
• Molar Refractivity: 52.0432 cm^3
• Polarizability: 20.004265 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%