3,4-dibromo-5-fluoropyridine

• ChemBase ID: 68258
• Molecular Formular: C5H2Br2FN
• Molecular Mass: 254.8824832
• Monoisotopic Mass: 252.85380129
• SMILES: c1c(c(c(cn1)F)Br)Br
• Canonical SMILES: Brc1c(F)cncc1Br
• InChI: InChI=1S/C5H2Br2FN/c6-3-1-9-2-4(8)5(3)7/h1-2H
• InChIKey: KJVNORXSGJINCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dibromo-5-fluoropyridine
• IUPAC Traditional name: 3,4-dibromo-5-fluoropyridine
• Synonyms: 3,4-Dibromo-5-fluoropyridine

Database IDs

• CAS Number: 1260843-59-1
• MDL Number: MFCD13193300
• PubChem SID: 162033990
• PubChem CID: 56604234

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4357796
• LogD (pH = 7.4): 2.4357805
• Log P: 2.4357805
• Molar Refractivity: 39.3631 cm^3
• Polarizability: 15.411749 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%