3-bromo-4-iodopyridine

• ChemBase ID: 297270
• Molecular Formular: C5H3BrIN
• Molecular Mass: 283.89249
• Monoisotopic Mass: 282.8493591
• SMILES: c1cncc(c1I)Br
• Canonical SMILES: Brc1cnccc1I
• InChI: InChI=1S/C5H3BrIN/c6-4-3-8-2-1-5(4)7/h1-3H
• InChIKey: LKDNPXCBLVOBRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-4-iodopyridine
• IUPAC Traditional name: 3-bromo-4-iodopyridine
• Synonyms: 3-Bromo-4-iodopyridine; 3-溴-4-碘吡啶

Database IDs

• CAS Number: 89167-19-1
• MDL Number: MFCD11110263
• PubChem SID: 180682801
• PubChem CID: 52911177

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4529846
• LogD (pH = 7.4): 2.4532669
• Log P: 2.4532704
• Molar Refractivity: 44.8864 cm^3
• Polarizability: 17.824848 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111-115°C

Safety Information

• Storage Warning: 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%