4H,5H,6H,7H-thieno[2,3-c]pyridin-4-ol

• ChemBase ID: 236964
• Molecular Formular: C7H9NOS
• Molecular Mass: 155.21746
• Monoisotopic Mass: 155.04048491
• SMILES: c12c(scc1)CNCC2O
• Canonical SMILES: OC1CNCc2c1ccs2
• InChI: InChI=1S/C7H9NOS/c9-6-3-8-4-7-5(6)1-2-10-7/h1-2,6,8-9H,3-4H2
• InChIKey: IRXJNFXDVGCFHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4H,5H,6H,7H-thieno[2,3-c]pyridin-4-ol
• IUPAC Traditional name: 4H,5H,6H,7H-thieno[2,3-c]pyridin-4-ol
• Synonyms: 4H,5H,6H,7H-thieno[2,3-c]pyridin-4-ol

Database IDs

• MDL Number: MFCD14529417
• PubChem SID: 164292874
• PubChem CID: 12337023

CALCULATED PROPERTIES

• Acid pKa: 13.795351
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0055118
• LogD (pH = 7.4): -0.27458915
• Log P: 0.56536835
• Molar Refractivity: 40.713 cm^3
• Polarizability: 15.926013 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.169

Product Information

• Purity: 95%