2-bromo-5-(4-bromopyridin-2-yl)pyridine

• ChemBase ID: 296515
• Molecular Formular: C10H6Br2N2
• Molecular Mass: 313.97604
• Monoisotopic Mass: 311.8897722
• SMILES: c1cc(ncc1c1cc(ccn1)Br)Br
• Canonical SMILES: Brc1ccc(cn1)c1nccc(c1)Br
• InChI: InChI=1S/C10H6Br2N2/c11-8-3-4-13-9(5-8)7-1-2-10(12)14-6-7/h1-6H
• InChIKey: CANAGWONSFPODO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(4-bromopyridin-2-yl)pyridine
• IUPAC Traditional name: 2-bromo-5-(4-bromopyridin-2-yl)pyridine
• Synonyms: 4,6'-Dibromo-2,3'-bipyridine; 4,6'-二溴-2,3'-联吡啶

Database IDs

• CAS Number: 942206-14-6
• MDL Number: MFCD09037425
• PubChem SID: 180682046
• PubChem CID: 42553061

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3128085
• LogD (pH = 7.4): 3.313989
• Log P: 3.314004
• Molar Refractivity: 62.5962 cm^3
• Polarizability: 25.137524 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127-130°C

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 95%