2,3-dibromo-4-(difluoromethyl)pyridine

• ChemBase ID: 66185
• Molecular Formular: C6H3Br2F2N
• Molecular Mass: 286.8995264
• Monoisotopic Mass: 284.86002954
• SMILES: c1(c(c(ccn1)C(F)F)Br)Br
• Canonical SMILES: FC(c1ccnc(c1Br)Br)F
• InChI: InChI=1S/C6H3Br2F2N/c7-4-3(6(9)10)1-2-11-5(4)8/h1-2,6H
• InChIKey: SSHLIULMIFZUGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromo-4-(difluoromethyl)pyridine
• IUPAC Traditional name: 2,3-dibromo-4-(difluoromethyl)pyridine
• Synonyms: 2,3-Dibromo-4-(difluoromethyl)pyridine

Database IDs

• MDL Number: MFCD22199292
• PubChem SID: 162031924
• PubChem CID: 60622997

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8876882
• LogD (pH = 7.4): 2.8876886
• Log P: 2.8876886
• Molar Refractivity: 45.0729 cm^3
• Polarizability: 17.220678 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%