3-{pyrazolo[1,5-a]pyridin-7-yl}pyridin-2-ol

• ChemBase ID: 818083
• Molecular Formular: C12H9N3O
• Molecular Mass: 211.21936
• Monoisotopic Mass: 211.07456192
• SMILES: n12c(c3c(nccc3)O)cccc1ccn2
• Canonical SMILES: Oc1ncccc1c1cccc2n1ncc2
• InChI: InChI=1S/C12H9N3O/c16-12-10(4-2-7-13-12)11-5-1-3-9-6-8-14-15(9)11/h1-8H,(H,13,16)
• InChIKey: FKSSWWBOCBJYHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{pyrazolo[1,5-a]pyridin-7-yl}pyridin-2-ol
• IUPAC Traditional name: 3-{pyrazolo[1,5-a]pyridin-7-yl}pyridin-2-ol
• Synonyms: 3-pyrazolo[1,5-a]pyridin-7-yl-2-pyridinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.276975
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1434433
• LogD (pH = 7.4): 2.14357
• Log P: 2.1436293
• Molar Refractivity: 71.1291 cm^3
• Polarizability: 24.641962 Å^3
• Polar Surface Area: 50.42 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.47
• LOG S: -1.14
• Polar Surface Area: 50.42 Å^2
• Rotatable Bonds: 1