{5-bromothieno[2,3-b]pyridin-6-yl}methanol

• ChemBase ID: 163066
• Molecular Formular: C8H6BrNOS
• Molecular Mass: 244.10834
• Monoisotopic Mass: 242.93534682
• SMILES: c1(c(nc2c(c1)ccs2)CO)Br
• Canonical SMILES: OCc1nc2sccc2cc1Br
• InChI: InChI=1S/C8H6BrNOS/c9-6-3-5-1-2-12-8(5)10-7(6)4-11/h1-3,11H,4H2
• InChIKey: QEEYGQMTUQYKDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {5-bromothieno[2,3-b]pyridin-6-yl}methanol
• IUPAC Traditional name: {5-bromothieno[2,3-b]pyridin-6-yl}methanol
• Synonyms: (5-Bromothieno[2,3-b]pyridin-6-yl)methanol; 5-Bromothieno[2,3-b]pyridine-6-methanol

Database IDs

• PubChem SID: 162257201
• PubChem CID: 71314288

CALCULATED PROPERTIES

• Acid pKa: 13.971177
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.081932
• LogD (pH = 7.4): 2.081935
• Log P: 2.081935
• Molar Refractivity: 51.1103 cm^3
• Polarizability: 20.269047 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - B688125

Used in the preparation of bicyclyl- or heterobicyclylmethanesulfonylamino-substituted N-hydroxyformamides useful in the treatment and prophylaxis of conditions mediated by s-CD23.