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

• ChemBase ID: 114213
• Molecular Formular: C8H6N2O2
• Molecular Mass: 162.14544
• Monoisotopic Mass: 162.04292744
• SMILES: n1nc(ccc1c1occc1)O
• Canonical SMILES: Oc1ccc(nn1)c1ccco1
• InChI: InChI=1S/C8H6N2O2/c11-8-4-3-6(9-10-8)7-2-1-5-12-7/h1-5H,(H,10,11)
• InChIKey: WUTQMDHLNJSJPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(furan-2-yl)pyridazin-3-ol
• IUPAC Traditional name: 6-(furan-2-yl)pyridazin-3-ol
• Synonyms: 6-(2-furyl)pyridazin-3-ol

Database IDs

• MDL Number: MFCD16652695
• PubChem SID: 162099637
• PubChem CID: 8032595

CALCULATED PROPERTIES

• Acid pKa: 7.975809
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1585891
• LogD (pH = 7.4): 1.0593911
• Log P: 1.160018
• Molar Refractivity: 43.2139 cm^3
• Polarizability: 16.979048 Å^3
• Polar Surface Area: 59.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.295

Product Information

• Purity: 95+%