6-(naphthalen-2-yl)pyridazin-3-ol

• ChemBase ID: 114187
• Molecular Formular: C14H10N2O
• Molecular Mass: 222.242
• Monoisotopic Mass: 222.07931295
• SMILES: n1nc(ccc1c1cc2c(cc1)cccc2)O
• Canonical SMILES: Oc1ccc(nn1)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C14H10N2O/c17-14-8-7-13(15-16-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,16,17)
• InChIKey: WGLIXRXOERJHDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(naphthalen-2-yl)pyridazin-3-ol
• IUPAC Traditional name: 6-(naphthalen-2-yl)pyridazin-3-ol
• Synonyms: 6-(2-naphthyl)pyridazin-3-ol

Database IDs

• MDL Number: MFCD16652677
• PubChem SID: 162099140
• PubChem CID: 12316099

CALCULATED PROPERTIES

• Acid pKa: 8.466038
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0887582
• LogD (pH = 7.4): 3.0539577
• Log P: 3.0892482
• Molar Refractivity: 67.2732 cm^3
• Polarizability: 27.737236 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 4.189

Product Information

• Purity: 95+%