6-[3-(1H-pyrazol-3-yl)phenyl]pyridin-2-ol

• ChemBase ID: 648870
• Molecular Formular: C14H11N3O
• Molecular Mass: 237.25664
• Monoisotopic Mass: 237.09021199
• SMILES: n1c(c2cc(c3n[nH]cc3)ccc2)cccc1O
• Canonical SMILES: Oc1cccc(n1)c1cccc(c1)c1n[nH]cc1
• InChI: InChI=1S/C14H11N3O/c18-14-6-2-5-12(16-14)10-3-1-4-11(9-10)13-7-8-15-17-13/h1-9H,(H,15,17)(H,16,18)
• InChIKey: XTPXUYMGJUCTLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[3-(1H-pyrazol-3-yl)phenyl]pyridin-2-ol
• IUPAC Traditional name: 6-[3-(1H-pyrazol-3-yl)phenyl]pyridin-2-ol
• Synonyms: 6-[3-(1H-pyrazol-3-yl)phenyl]-2-pyridinol

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.668967
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.4165537
• LogD (pH = 7.4): 3.4167747
• Log P: 3.416801
• Molar Refractivity: 69.4113 cm^3
• Polarizability: 28.831562 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.23
• LOG S: -3.69
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 2