6-(9H-fluoren-2-yl)pyridazin-3-ol

• ChemBase ID: 114169
• Molecular Formular: C17H12N2O
• Molecular Mass: 260.28998
• Monoisotopic Mass: 260.09496301
• SMILES: c12c(c3c(C1)cccc3)ccc(c2)c1nnc(cc1)O
• Canonical SMILES: Oc1ccc(nn1)c1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C17H12N2O/c20-17-8-7-16(18-19-17)12-5-6-15-13(10-12)9-11-3-1-2-4-14(11)15/h1-8,10H,9H2,(H,19,20)
• InChIKey: KWSFVBZNHJZKHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(9H-fluoren-2-yl)pyridazin-3-ol
• IUPAC Traditional name: 6-(9H-fluoren-2-yl)pyridazin-3-ol
• Synonyms: 6-(9{H}-fluoren-2-yl)pyridazin-3-ol

Database IDs

• MDL Number: MFCD16652664
• PubChem SID: 162099163
• PubChem CID: 33676061

CALCULATED PROPERTIES

• Acid pKa: 8.476004
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.8650641
• LogD (pH = 7.4): 3.8310225
• Log P: 3.8655448
• Molar Refractivity: 79.6384 cm^3
• Polarizability: 32.21279 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 5.003

Product Information

• Purity: 95+%