2-bromo-5-(5-bromopyridin-3-yl)pyridine

• ChemBase ID: 296501
• Molecular Formular: C10H6Br2N2
• Molecular Mass: 313.97604
• Monoisotopic Mass: 311.8897722
• SMILES: c1cc(ncc1c1cc(cnc1)Br)Br
• Canonical SMILES: Brc1ccc(cn1)c1cncc(c1)Br
• InChI: InChI=1S/C10H6Br2N2/c11-9-3-8(4-13-6-9)7-1-2-10(12)14-5-7/h1-6H
• InChIKey: IMGBTSYZPFNIKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(5-bromopyridin-3-yl)pyridine
• IUPAC Traditional name: 2-bromo-5-(5-bromopyridin-3-yl)pyridine
• Synonyms: 5,6'-Dibromo-3,3'-bipyridine; 5,6 '-二溴-3,3 '-二吡啶

Database IDs

• CAS Number: 942206-15-7
• MDL Number: MFCD09037423
• PubChem SID: 180682032
• PubChem CID: 42553052

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9270682
• LogD (pH = 7.4): 2.92814
• Log P: 2.9281535
• Molar Refractivity: 62.9682 cm^3
• Polarizability: 25.139463 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 201-205°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: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 90+%