ethyl 5,6-difluoropyridine-2-carboxylate

• ChemBase ID: 801155
• Molecular Formular: C8H7F2NO2
• Molecular Mass: 187.1434864
• Monoisotopic Mass: 187.04448491
• SMILES: O(C(=O)c1ccc(c(n1)F)F)CC
• Canonical SMILES: CCOC(=O)c1ccc(c(n1)F)F
• InChI: InChI=1S/C8H7F2NO2/c1-2-13-8(12)6-4-3-5(9)7(10)11-6/h3-4H,2H2,1H3
• InChIKey: GGNGRAGVCHCGJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5,6-difluoropyridine-2-carboxylate
• IUPAC Traditional name: ethyl 5,6-difluoropyridine-2-carboxylate
• Synonyms: ETHYL 5,6-DIFLUOROPICOLINATE

Database IDs

• CAS Number: 1214363-04-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9810432
• LogD (pH = 7.4): 1.9810432
• Log P: 1.9810432
• Molar Refractivity: 41.7505 cm^3
• Polarizability: 15.289047 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%