3-bromothieno[2,3-c]pyridine

• ChemBase ID: 87250
• Molecular Formular: C7H4BrNS
• Molecular Mass: 214.08236
• Monoisotopic Mass: 212.92478213
• SMILES: n1ccc2c(c1)scc2Br
• Canonical SMILES: Brc1csc2c1ccnc2
• InChI: InChI=1S/C7H4BrNS/c8-6-4-10-7-3-9-2-1-5(6)7/h1-4H
• InChIKey: YTWCEXXHTNFGKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 28783-17-7
• MDL Number: MFCD11052627
• PubChem SID: 162074361
• PubChem CID: 612038

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.399634
• LogD (pH = 7.4): 2.4003417
• Log P: 2.4003508
• Molar Refractivity: 44.864 cm^3
• Polarizability: 18.371162 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Keep Cold