5-{1H-pyrazolo[3,4-b]pyridin-1-yl}pyridin-2-ol

• ChemBase ID: 383533
• Molecular Formular: C11H8N4O
• Molecular Mass: 212.20742
• Monoisotopic Mass: 212.0698109
• SMILES: n1(ncc2c1nccc2)c1cnc(cc1)O
• Canonical SMILES: Oc1ccc(cn1)n1ncc2c1nccc2
• InChI: InChI=1S/C11H8N4O/c16-10-4-3-9(7-13-10)15-11-8(6-14-15)2-1-5-12-11/h1-7H,(H,13,16)
• InChIKey: DQDUSTJAKYXCKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1H-pyrazolo[3,4-b]pyridin-1-yl}pyridin-2-ol
• IUPAC Traditional name: 5-{pyrazolo[3,4-b]pyridin-1-yl}pyridin-2-ol
• Synonyms: 5-(1H-pyrazolo[3,4-b]pyridin-1-yl)pyridin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.453786
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3008454
• LogD (pH = 7.4): 1.3009465
• Log P: 1.3009516
• Molar Refractivity: 58.6806 cm^3
• Polarizability: 23.060698 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.93
• LOG S: -2.4
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1