ethyl 4-fluoro-2-methylpyridine-3-carboxylate

• ChemBase ID: 801277
• Molecular Formular: C9H10FNO2
• Molecular Mass: 183.1796032
• Monoisotopic Mass: 183.06955679
• SMILES: O(C(=O)c1c(ccnc1C)F)CC
• Canonical SMILES: CCOC(=O)c1c(F)ccnc1C
• InChI: InChI=1S/C9H10FNO2/c1-3-13-9(12)8-6(2)11-5-4-7(8)10/h4-5H,3H2,1-2H3
• InChIKey: SNGRTQRIRSHPAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 4-fluoro-2-methylpyridine-3-carboxylate
• IUPAC Traditional name: ethyl 4-fluoro-2-methylpyridine-3-carboxylate
• Synonyms: 4-FLUORO-2-METHYL-NICOTINIC ACID ETHYL ESTER

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3719509
• LogD (pH = 7.4): 1.389699
• Log P: 1.3899304
• Molar Refractivity: 45.4829 cm^3
• Polarizability: 17.199888 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%