3-bromothieno[3,2-c]pyridine

• ChemBase ID: 87251
• Molecular Formular: C7H4BrNS
• Molecular Mass: 214.08236
• Monoisotopic Mass: 212.92478213
• SMILES: n1ccc2c(c1)c(cs2)Br
• Canonical SMILES: Brc1csc2c1cncc2
• InChI: InChI=1S/C7H4BrNS/c8-6-4-10-7-1-2-9-3-5(6)7/h1-4H
• InChIKey: AELJTKUDYYGBSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11869740
• PubChem SID: 162074362
• PubChem CID: 612039

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.398883
• LogD (pH = 7.4): 2.4003322
• Log P: 2.4003508
• Molar Refractivity: 44.864 cm^3
• Polarizability: 18.370955 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant