2-bromo-6-iodopyridine

• ChemBase ID: 89996
• Molecular Formular: C5H3BrIN
• Molecular Mass: 283.89249
• Monoisotopic Mass: 282.8493591
• SMILES: n1c(cccc1I)Br
• Canonical SMILES: Brc1cccc(n1)I
• InChI: InChI=1S/C5H3BrIN/c6-4-2-1-3-5(7)8-4/h1-3H
• InChIKey: KJOQMWRTNVBXEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-iodopyridine
• IUPAC Traditional name: 2-bromo-6-iodopyridine
• Synonyms: 2-Bromo-6-iodopyridine; 2-Bromo-6-iodopyridine 95+%; 2-BroMo-6-iodopyridine; 2-溴-6-碘吡啶

Database IDs

• CAS Number: 234111-08-1
• MDL Number: MFCD08059557
• PubChem SID: 162076851
• PubChem CID: 11312130

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.69138
• LogD (pH = 7.4): 2.69138
• Log P: 2.69138
• Molar Refractivity: 45.4367 cm^3
• Polarizability: 17.938583 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139-143°C

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold; Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%