ethyl 5-fluoro-2-methylpyridine-3-carboxylate

• ChemBase ID: 814653
• Molecular Formular: C9H10FNO2
• Molecular Mass: 183.1796032
• Monoisotopic Mass: 183.06955679
• SMILES: O(C(=O)c1cc(cnc1C)F)CC
• Canonical SMILES: Cc1ncc(cc1C(=O)OCC)F
• InChI: InChI=1S/C9H10FNO2/c1-3-13-9(12)8-4-7(10)5-11-6(8)2/h4-5H,3H2,1-2H3
• InChIKey: IJHZJCKHCJFRMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5-fluoro-2-methylpyridine-3-carboxylate
• IUPAC Traditional name: ethyl 5-fluoro-2-methylpyridine-3-carboxylate
• Synonyms: ethyl 5-fluoro-2-methylnicotinate

Database IDs

• CAS Number: 1196151-57-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3898731
• LogD (pH = 7.4): 1.3899297
• Log P: 1.3899304
• Molar Refractivity: 45.4829 cm^3
• Polarizability: 17.200619 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%