2-bromo-3,5-diiodopyridine

• ChemBase ID: 296547
• Molecular Formular: C5H2BrI2N
• Molecular Mass: 409.78902
• Monoisotopic Mass: 408.74600707
• SMILES: c1c(cnc(c1I)Br)I
• Canonical SMILES: Ic1cnc(c(c1)I)Br
• InChI: InChI=1S/C5H2BrI2N/c6-5-4(8)1-3(7)2-9-5/h1-2H
• InChIKey: SCQXRSNMDARXSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3,5-diiodopyridine
• IUPAC Traditional name: 2-bromo-3,5-diiodopyridine
• Synonyms: 2-Bromo-3,5-diiodopyridine; 2-BroMo-3,5-diiodopyridine; 2-溴-3,5-二碘吡啶

Database IDs

• CAS Number: 885952-14-7
• MDL Number: MFCD06798228
• PubChem SID: 180682078
• PubChem CID: 42553082

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.587737
• LogD (pH = 7.4): 3.587737
• Log P: 3.587737
• Molar Refractivity: 59.0911 cm^3
• Polarizability: 23.501633 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%; 98%