2-bromo-6-(1,1-difluoroethyl)pyridine

• ChemBase ID: 66160
• Molecular Formular: C7H6BrF2N
• Molecular Mass: 222.0300464
• Monoisotopic Mass: 220.96516764
• SMILES: c1(cccc(n1)C(F)(C)F)Br
• Canonical SMILES: Brc1cccc(n1)C(F)(F)C
• InChI: InChI=1S/C7H6BrF2N/c1-7(9,10)5-3-2-4-6(8)11-5/h2-4H,1H3
• InChIKey: GGHWPUJGODNDNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(1,1-difluoroethyl)pyridine
• IUPAC Traditional name: 2-bromo-6-(1,1-difluoroethyl)pyridine
• Synonyms: 2-Bromo-6-(1,1-difluoroethyl)pyridine

Database IDs

• MDL Number: MFCD16140181
• PubChem SID: 162031899
• PubChem CID: 53435081

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7528489
• LogD (pH = 7.4): 2.752849
• Log P: 2.752849
• Molar Refractivity: 42.0999 cm^3
• Polarizability: 15.742418 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%