5-bromo-2-(thiophen-2-yl)pyridine

• ChemBase ID: 296419
• Molecular Formular: C9H6BrNS
• Molecular Mass: 240.11964
• Monoisotopic Mass: 238.9404322
• SMILES: c1cc(sc1)c1ccc(cn1)Br
• Canonical SMILES: Brc1ccc(nc1)c1cccs1
• InChI: InChI=1S/C9H6BrNS/c10-7-3-4-8(11-6-7)9-2-1-5-12-9/h1-6H
• InChIKey: POYKHSYCYNRTKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2-(thiophen-2-yl)pyridine
• IUPAC Traditional name: 5-bromo-2-(thiophen-2-yl)pyridine
• Synonyms: 5-Bromo-2-(2-thienyl)pyridine; 5-溴-2-(2-噻吩基)吡啶

Database IDs

• CAS Number: 91891-74-6
• MDL Number: MFCD09037419
• PubChem SID: 180681950
• PubChem CID: 13238694

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3344944
• LogD (pH = 7.4): 3.334549
• Log P: 3.3345497
• Molar Refractivity: 53.178 cm^3
• Polarizability: 21.76386 Å^3
• Polar Surface Area: 12.89 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%