3-(5-bromopyridin-3-yl)-2-chloropyridine

• ChemBase ID: 296353
• Molecular Formular: C10H6BrClN2
• Molecular Mass: 269.52504
• Monoisotopic Mass: 267.94028788
• SMILES: c1cc(c(nc1)Cl)c1cc(cnc1)Br
• Canonical SMILES: Brc1cncc(c1)c1cccnc1Cl
• InChI: InChI=1S/C10H6BrClN2/c11-8-4-7(5-13-6-8)9-2-1-3-14-10(9)12/h1-6H
• InChIKey: COJZEDKIKXPLEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-bromopyridin-3-yl)-2-chloropyridine
• IUPAC Traditional name: 3-(5-bromopyridin-3-yl)-2-chloropyridine
• Synonyms: 5-Bromo-2'-chloro-3,3'-bipyridine; 5-溴-2'-氯-3,3'-联吡啶

Database IDs

• MDL Number: MFCD09037438
• PubChem SID: 180681884
• PubChem CID: 42552972

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.777231
• LogD (pH = 7.4): 2.7780898
• Log P: 2.7781007
• Molar Refractivity: 60.3693 cm^3
• Polarizability: 24.16045 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• 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: 95%