2-bromo-6-(thiophen-2-yl)pyridine

• ChemBase ID: 796787
• Molecular Formular: C9H6BrNS
• Molecular Mass: 240.11964
• Monoisotopic Mass: 238.9404322
• SMILES: n1c(cccc1c1sccc1)Br
• Canonical SMILES: Brc1cccc(n1)c1cccs1
• InChI: InChI=1S/C9H6BrNS/c10-9-5-1-3-7(11-9)8-4-2-6-12-8/h1-6H
• InChIKey: GOXHTNUZZXYKHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(thiophen-2-yl)pyridine
• IUPAC Traditional name: 2-bromo-6-(thiophen-2-yl)pyridine
• Synonyms: 2-BroMo-6-(thiophen-2-yl)pyridine

Database IDs

• CAS Number: 220196-07-6

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.540071
• LogD (pH = 7.4): 3.5400717
• Log P: 3.5400717
• Molar Refractivity: 54.0202 cm^3
• Polarizability: 21.81561 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%