2-bromo-5-(6-bromopyridin-3-yl)pyridine

• ChemBase ID: 71306
• Molecular Formular: C10H6Br2N2
• Molecular Mass: 313.97604
• Monoisotopic Mass: 311.8897722
• SMILES: n1c(ccc(c2cnc(cc2)Br)c1)Br
• Canonical SMILES: Brc1ccc(cn1)c1ccc(nc1)Br
• InChI: InChI=1S/C10H6Br2N2/c11-9-3-1-7(5-13-9)8-2-4-10(12)14-6-8/h1-6H
• InChIKey: IJTQXCQPBVBRSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 147496-14-8
• MDL Number: MFCD09037441
• PubChem SID: 162036896
• PubChem CID: 6426300

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1336515
• LogD (pH = 7.4): 3.1336753
• Log P: 3.1336756
• Molar Refractivity: 63.8104 cm^3
• Polarizability: 25.187325 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 249°C dec.

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: tech. 90%