2-(difluoromethoxy)-5-(2,3-difluorophenyl)pyridine

• ChemBase ID: 797333
• Molecular Formular: C12H7F4NO
• Molecular Mass: 257.1836928
• Monoisotopic Mass: 257.04637673
• SMILES: n1c(ccc(c1)c1c(c(ccc1)F)F)OC(F)F
• Canonical SMILES: FC(Oc1ccc(cn1)c1cccc(c1F)F)F
• InChI: InChI=1S/C12H7F4NO/c13-9-3-1-2-8(11(9)14)7-4-5-10(17-6-7)18-12(15)16/h1-6,12H
• InChIKey: IITADLFEVMXCOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethoxy)-5-(2,3-difluorophenyl)pyridine
• IUPAC Traditional name: 2-(difluoromethoxy)-5-(2,3-difluorophenyl)pyridine
• Synonyms: 2-(DifluoroMethoxy)-5-(2,3-difluorophenyl)pyridine

Database IDs

• CAS Number: 1261764-07-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.051699
• LogD (pH = 7.4): 4.0517464
• Log P: 4.0517473
• Molar Refractivity: 56.2557 cm^3
• Polarizability: 21.82508 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%