ethyl 2-(5,6-difluoropyridin-2-yl)acetate

• ChemBase ID: 801696
• Molecular Formular: C9H9F2NO2
• Molecular Mass: 201.1700664
• Monoisotopic Mass: 201.06013497
• SMILES: O(C(=O)Cc1nc(c(cc1)F)F)CC
• Canonical SMILES: CCOC(=O)Cc1ccc(c(n1)F)F
• InChI: InChI=1S/C9H9F2NO2/c1-2-14-8(13)5-6-3-4-7(10)9(11)12-6/h3-4H,2,5H2,1H3
• InChIKey: BEYHEGAFTOHHHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(5,6-difluoropyridin-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(5,6-difluoropyridin-2-yl)acetate
• Synonyms: ETHYL (5,6-DIFLUOROPYRIDIN-2-YL)ACETATE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9612086
• LogD (pH = 7.4): 1.9612086
• Log P: 1.9612086
• Molar Refractivity: 45.8019 cm^3
• Polarizability: 17.103035 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%