3-bromothieno[3,2-b]pyridine

• ChemBase ID: 87252
• Molecular Formular: C7H4BrNS
• Molecular Mass: 214.08236
• Monoisotopic Mass: 212.92478213
• SMILES: n1c2c(ccc1)scc2Br
• Canonical SMILES: Brc1csc2c1nccc2
• InChI: InChI=1S/C7H4BrNS/c8-5-4-10-6-2-1-3-9-7(5)6/h1-4H
• InChIKey: TYQIGSHNHLULNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11869741
• PubChem SID: 162074363
• PubChem CID: 13220428

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7860422
• LogD (pH = 7.4): 2.786199
• Log P: 2.7862012
• Molar Refractivity: 44.492 cm^3
• Polarizability: 18.376877 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant