2,6-dibromo-3-fluoropyridine

• ChemBase ID: 290874
• Molecular Formular: C5H2Br2FN
• Molecular Mass: 254.8824832
• Monoisotopic Mass: 252.85380129
• SMILES: Fc1ccc(Br)nc1Br
• Canonical SMILES: Brc1ccc(c(n1)Br)F
• InChI: InChI=1S/C5H2Br2FN/c6-4-2-1-3(8)5(7)9-4/h1-2H
• InChIKey: GOAOEPAQKOERAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromo-3-fluoropyridine
• IUPAC Traditional name: 2,6-dibromo-3-fluoropyridine
• Synonyms: 2,6-Dibromo-3-fluoropyridine

Database IDs

• CAS Number: 41404-59-5
• MDL Number: MFCD13185513
• PubChem SID: 180676405
• PubChem CID: 52911237

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8468246
• LogD (pH = 7.4): 2.8468246
• Log P: 2.8468246
• Molar Refractivity: 41.0475 cm^3
• Polarizability: 15.496408 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%