2,5-dibromo-3-fluoropyridine

• ChemBase ID: 64859
• Molecular Formular: C5H2Br2FN
• Molecular Mass: 254.8824832
• Monoisotopic Mass: 252.85380129
• SMILES: c1(cnc(c(c1)F)Br)Br
• Canonical SMILES: Brc1cnc(c(c1)F)Br
• InChI: InChI=1S/C5H2Br2FN/c6-3-1-4(8)5(7)9-2-3/h1-2H
• InChIKey: QEENLQKOTDHQEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromo-3-fluoropyridine
• IUPAC Traditional name: 2,5-dibromo-3-fluoropyridine
• Synonyms: 2,5-Dibromo-3-fluoropyridine

Database IDs

• CAS Number: 156772-60-0
• MDL Number: MFCD06659497
• PubChem SID: 162030598
• PubChem CID: 22412832

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6413026
• LogD (pH = 7.4): 2.6413026
• Log P: 2.6413026
• Molar Refractivity: 40.2053 cm^3
• Polarizability: 15.453438 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Harmful
• TSCA Listed: false

Product Information

• Purity: 97%; 98%