2-bromo-6-(thiophen-3-yl)pyridine

• ChemBase ID: 796559
• Molecular Formular: C9H6BrNS
• Molecular Mass: 240.11964
• Monoisotopic Mass: 238.9404322
• SMILES: n1c(cccc1c1cscc1)Br
• Canonical SMILES: Brc1cccc(n1)c1cscc1
• InChI: InChI=1S/C9H6BrNS/c10-9-3-1-2-8(11-9)7-4-5-12-6-7/h1-6H
• InChIKey: LUPMQIYFGZTIAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-(thiophen-3-yl)pyridine
• IUPAC Traditional name: 2-bromo-6-(thiophen-3-yl)pyridine
• Synonyms: 2-BroMo-6-(thiophen-3-yl)pyridine

Database IDs

• CAS Number: 463337-00-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5433612
• LogD (pH = 7.4): 3.5433657
• Log P: 3.5433657
• Molar Refractivity: 54.2361 cm^3
• Polarizability: 21.80904 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%