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

• ChemBase ID: 71264
• Molecular Formular: C10H7BrN2
• Molecular Mass: 235.07998
• Monoisotopic Mass: 233.97926023
• SMILES: n1c(c2cnccc2)ccc(c1)Br
• Canonical SMILES: Brc1ccc(nc1)c1cccnc1
• InChI: InChI=1S/C10H7BrN2/c11-9-3-4-10(13-7-9)8-2-1-5-12-6-8/h1-7H
• InChIKey: ILJRIAPZWHYPMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(pyridin-3-yl)pyridine
• IUPAC Traditional name: 5-bromo-2-(pyridin-3-yl)pyridine
• Synonyms: 5-Bromo-2,3'-bipyridine; 5-Bromo-2,3'bipyridine; 5-Bromo-2,3'-bipyridine; 5-溴-2,3'-联吡啶

Database IDs

• CAS Number: 774-53-8
• MDL Number: MFCD09037420
• PubChem SID: 162036854
• PubChem CID: 11390677

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3159192
• LogD (pH = 7.4): 2.3394194
• Log P: 2.3397293
• Molar Refractivity: 54.1312 cm^3
• Polarizability: 22.165302 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75-78°C

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: 95%