2-chloro-6-(difluoromethoxy)pyridine

• ChemBase ID: 796394
• Molecular Formular: C6H4ClF2NO
• Molecular Mass: 179.5518664
• Monoisotopic Mass: 178.99494787
• SMILES: n1c(cccc1OC(F)F)Cl
• Canonical SMILES: FC(Oc1cccc(n1)Cl)F
• InChI: InChI=1S/C6H4ClF2NO/c7-4-2-1-3-5(10-4)11-6(8)9/h1-3,6H
• InChIKey: MQNNYHKAEYWADV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-6-(difluoromethoxy)pyridine
• IUPAC Traditional name: 2-chloro-6-(difluoromethoxy)pyridine
• Synonyms: 2-Chloro-6-(difluoroMethoxy)pyridine

Database IDs

• CAS Number: 1214377-45-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9433398
• LogD (pH = 7.4): 2.9433398
• Log P: 2.9433398
• Molar Refractivity: 36.5528 cm^3
• Polarizability: 13.631714 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%