ethyl 5-ethoxypyridine-2-carboxylate

• ChemBase ID: 292444
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: O=C(OCC)c1ncc(OCC)cc1
• Canonical SMILES: CCOc1ccc(nc1)C(=O)OCC
• InChI: InChI=1S/C10H13NO3/c1-3-13-8-5-6-9(11-7-8)10(12)14-4-2/h5-7H,3-4H2,1-2H3
• InChIKey: GURVKDSNNLEJBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-ethoxypyridine-2-carboxylate
• IUPAC Traditional name: ethyl 5-ethoxypyridine-2-carboxylate
• Synonyms: Ethyl 5-ethoxypicolinate

Database IDs

• CAS Number: 1312903-94-8
• PubChem SID: 180677975
• PubChem CID: 67958698

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5007879
• LogD (pH = 7.4): 1.5008446
• Log P: 1.5008453
• Molar Refractivity: 51.5148 cm^3
• Polarizability: 20.080414 Å^3
• Polar Surface Area: 48.42 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%