2-(difluoromethoxy)pyridine

• ChemBase ID: 795810
• Molecular Formular: C6H5F2NO
• Molecular Mass: 145.1068064
• Monoisotopic Mass: 145.03392023
• SMILES: n1c(cccc1)OC(F)F
• Canonical SMILES: FC(Oc1ccccn1)F
• InChI: InChI=1S/C6H5F2NO/c7-6(8)10-5-3-1-2-4-9-5/h1-4,6H
• InChIKey: AIIPLYODDSSCIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(difluoromethoxy)pyridine
• IUPAC Traditional name: 2-(difluoromethoxy)pyridine
• Synonyms: 2-(DifluoroMethoxy)pyridine

Database IDs

• CAS Number: 865075-07-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1188986
• LogD (pH = 7.4): 2.119115
• Log P: 2.119118
• Molar Refractivity: 30.6867 cm^3
• Polarizability: 11.574305 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%