3-bromothieno[2,3-b]pyridine

• ChemBase ID: 87249
• Molecular Formular: C7H4BrNS
• Molecular Mass: 214.08236
• Monoisotopic Mass: 212.92478213
• SMILES: n1c2c(ccc1)c(cs2)Br
• Canonical SMILES: Brc1csc2c1cccn2
• InChI: InChI=1S/C7H4BrNS/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H
• InChIKey: KAIWLFPPQNJAHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromothieno[2,3-b]pyridine
• IUPAC Traditional name: 3-bromothieno[2,3-b]pyridine
• Synonyms: 3-Bromothieno[2,3-b]pyridine

Database IDs

• CAS Number: 28988-21-8
• MDL Number: MFCD11869739
• PubChem SID: 162074360
• PubChem CID: 289926

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7677417
• LogD (pH = 7.4): 2.767812
• Log P: 2.767813
• Molar Refractivity: 44.8166 cm^3
• Polarizability: 17.762869 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%