2-bromo-5-(difluoromethoxy)pyridine

• ChemBase ID: 248523
• Molecular Formular: C6H4BrF2NO
• Molecular Mass: 224.0028664
• Monoisotopic Mass: 222.94443219
• SMILES: n1c(Br)ccc(OC(F)F)c1
• Canonical SMILES: FC(Oc1ccc(nc1)Br)F
• InChI: InChI=1S/C6H4BrF2NO/c7-5-2-1-4(3-10-5)11-6(8)9/h1-3,6H
• InChIKey: PYKSHJJKXWPSHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(difluoromethoxy)pyridine
• IUPAC Traditional name: 2-bromo-5-(difluoromethoxy)pyridine
• Synonyms: 2-bromo-5-(difluoromethoxy)pyridine

Database IDs

• MDL Number: MFCD13185842
• PubChem SID: 164304433
• PubChem CID: 23120579

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4989252
• LogD (pH = 7.4): 2.498935
• Log P: 2.498935
• Molar Refractivity: 38.8382 cm^3
• Polarizability: 14.788748 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.415

Product Information

• Purity: 95%