[4-(1-benzothiophen-7-yl)pyridin-2-yl]methanol

• ChemBase ID: 620064
• Molecular Formular: C14H11NOS
• Molecular Mass: 241.30824
• Monoisotopic Mass: 241.05613498
• SMILES: c12c(c3cc(ncc3)CO)cccc2ccs1
• Canonical SMILES: OCc1nccc(c1)c1cccc2c1scc2
• InChI: InChI=1S/C14H11NOS/c16-9-12-8-11(4-6-15-12)13-3-1-2-10-5-7-17-14(10)13/h1-8,16H,9H2
• InChIKey: LBZTZPKUODXKHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(1-benzothiophen-7-yl)pyridin-2-yl]methanol
• IUPAC Traditional name: [4-(1-benzothiophen-7-yl)pyridin-2-yl]methanol
• Synonyms: [4-(1-benzothien-7-yl)-2-pyridinyl]methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.157254
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5659513
• LogD (pH = 7.4): 2.5925944
• Log P: 2.5929456
• Molar Refractivity: 68.6711 cm^3
• Polarizability: 29.077505 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.52
• LOG S: -3.12
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 2