4-(1,6-naphthyridin-5-yl)phenol

• ChemBase ID: 756458
• Molecular Formular: C14H10N2O
• Molecular Mass: 222.242
• Monoisotopic Mass: 222.07931295
• SMILES: c1(c2c(nccc2)ccn1)c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)c1nccc2c1cccn2
• InChI: InChI=1S/C14H10N2O/c17-11-5-3-10(4-6-11)14-12-2-1-8-15-13(12)7-9-16-14/h1-9,17H
• InChIKey: GXKPIQWSUDZFDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1,6-naphthyridin-5-yl)phenol
• IUPAC Traditional name: 4-(1,6-naphthyridin-5-yl)phenol
• Synonyms: 4-(1,6-naphthyridin-5-yl)phenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.491866
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.641956
• LogD (pH = 7.4): 2.6392503
• Log P: 2.6427383
• Molar Refractivity: 64.5675 cm^3
• Polarizability: 27.727121 Å^3
• Polar Surface Area: 46.01 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: 2.56
• LOG S: -2.43
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1