2-chloro-4-(difluoromethoxy)pyridine

• ChemBase ID: 292030
• Molecular Formular: C6H4ClF2NO
• Molecular Mass: 179.5518664
• Monoisotopic Mass: 178.99494787
• SMILES: FC(F)Oc1cc(Cl)ncc1
• Canonical SMILES: FC(Oc1ccnc(c1)Cl)F
• InChI: InChI=1S/C6H4ClF2NO/c7-5-3-4(1-2-10-5)11-6(8)9/h1-3,6H
• InChIKey: NPMVJHJZXXNKCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-(difluoromethoxy)pyridine
• IUPAC Traditional name: 2-chloro-4-(difluoromethoxy)pyridine
• Synonyms: 2-Chloro-4-(difluoromethoxy)pyridine

Database IDs

• CAS Number: 1206978-15-5
• MDL Number: MFCD13185848
• PubChem SID: 180677561
• PubChem CID: 70701118

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3487258
• LogD (pH = 7.4): 2.3488803
• Log P: 2.3488822
• Molar Refractivity: 36.2393 cm^3
• Polarizability: 13.626533 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%