3-(difluoromethoxy)pyridine

• ChemBase ID: 263320
• Molecular Formular: C6H5F2NO
• Molecular Mass: 145.1068064
• Monoisotopic Mass: 145.03392023
• SMILES: C(Oc1cnccc1)(F)F
• Canonical SMILES: FC(Oc1cccnc1)F
• InChI: InChI=1S/C6H5F2NO/c7-6(8)10-5-2-1-3-9-4-5/h1-4,6H
• InChIKey: IUTBESJQBGXNPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(difluoromethoxy)pyridine
• IUPAC Traditional name: 3-(difluoromethoxy)pyridine
• Synonyms: 3-(difluoromethoxy)pyridine

Database IDs

• MDL Number: MFCD13196036
• PubChem SID: 164319230
• PubChem CID: 18954644

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4800118
• LogD (pH = 7.4): 1.5240614
• Log P: 1.5246603
• Molar Refractivity: 30.3732 cm^3
• Polarizability: 11.571246 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.511

Product Information

• Purity: 95%