2-(5-bromothiophen-2-yl)pyridine

• ChemBase ID: 80504
• Molecular Formular: C9H6BrNS
• Molecular Mass: 240.11964
• Monoisotopic Mass: 238.9404322
• SMILES: s1c(ccc1Br)c1ncccc1
• Canonical SMILES: Brc1ccc(s1)c1ccccn1
• InChI: InChI=1S/C9H6BrNS/c10-9-5-4-8(12-9)7-3-1-2-6-11-7/h1-6H
• InChIKey: AKNKWLQVFAYRRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-bromothiophen-2-yl)pyridine
• IUPAC Traditional name: 2-(5-bromothiophen-2-yl)pyridine
• Synonyms: 2-(5-bromo-2-thienyl)pyridine

Database IDs

• CAS Number: 123784-07-6
• MDL Number: MFCD00120466
• PubChem SID: 162067624
• PubChem CID: 736483

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.498027
• LogD (pH = 7.4): 3.5005138
• Log P: 3.5005457
• Molar Refractivity: 52.3379 cm^3
• Polarizability: 21.798958 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%