6-(naphthalen-1-yl)pyridazin-3-ol

• ChemBase ID: 114205
• Molecular Formular: C14H10N2O
• Molecular Mass: 222.242
• Monoisotopic Mass: 222.07931295
• SMILES: n1nc(ccc1c1c2c(ccc1)cccc2)O
• Canonical SMILES: Oc1ccc(nn1)c1cccc2c1cccc2
• InChI: InChI=1S/C14H10N2O/c17-14-9-8-13(15-16-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,16,17)
• InChIKey: ICAGUJCIYINNRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(naphthalen-1-yl)pyridazin-3-ol
• IUPAC Traditional name: 6-(naphthalen-1-yl)pyridazin-3-ol
• Synonyms: 6-(1-naphthyl)pyridazin-3-ol

Database IDs

• MDL Number: MFCD08726371
• PubChem SID: 162100524
• PubChem CID: 33676137

CALCULATED PROPERTIES

• Acid pKa: 8.415111
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0887086
• LogD (pH = 7.4): 3.049771
• Log P: 3.0892482
• Molar Refractivity: 67.2732 cm^3
• Polarizability: 27.74018 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 4.15

Product Information

• Purity: 95+%