2-chloro-3-(difluoromethoxy)pyridine

• ChemBase ID: 247352
• Molecular Formular: C6H4ClF2NO
• Molecular Mass: 179.5518664
• Monoisotopic Mass: 178.99494787
• SMILES: c1(c(OC(F)F)cccn1)Cl
• Canonical SMILES: FC(Oc1cccnc1Cl)F
• InChI: InChI=1S/C6H4ClF2NO/c7-5-4(11-6(8)9)2-1-3-10-5/h1-3,6H
• InChIKey: HPJAGIYYNJKTOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-3-(difluoromethoxy)pyridine
• IUPAC Traditional name: 2-chloro-3-(difluoromethoxy)pyridine
• Synonyms: 2-chloro-3-(difluoromethoxy)pyridine

Database IDs

• MDL Number: MFCD13185847
• PubChem SID: 164303262
• PubChem CID: 53302035

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.348871
• LogD (pH = 7.4): 2.348882
• Log P: 2.3488822
• Molar Refractivity: 36.2393 cm^3
• Polarizability: 13.644765 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.035

Product Information

• Purity: 95%