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

• ChemBase ID: 296415
• Molecular Formular: C10H6Br2N2
• Molecular Mass: 313.97604
• Monoisotopic Mass: 311.8897722
• SMILES: c1cc(ncc1c1ccnc(c1)Br)Br
• Canonical SMILES: Brc1ccc(cn1)c1ccnc(c1)Br
• InChI: InChI=1S/C10H6Br2N2/c11-9-2-1-8(6-14-9)7-3-4-13-10(12)5-7/h1-6H
• InChIKey: LGVJILYMUFZGLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 942206-16-8
• MDL Number: MFCD09037424
• PubChem SID: 180681946
• PubChem CID: 42553011

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1336434
• LogD (pH = 7.4): 3.133675
• Log P: 3.1336756
• Molar Refractivity: 63.8104 cm^3
• Polarizability: 25.186192 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 189-193°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%