6-(2-hydroxyphenyl)pyridazin-3-ol

• ChemBase ID: 114175
• Molecular Formular: C10H8N2O2
• Molecular Mass: 188.18272
• Monoisotopic Mass: 188.05857751
• SMILES: n1nc(ccc1c1c(O)cccc1)O
• Canonical SMILES: Oc1ccc(nn1)c1ccccc1O
• InChI: InChI=1S/C10H8N2O2/c13-9-4-2-1-3-7(9)8-5-6-10(14)12-11-8/h1-6,13H,(H,12,14)
• InChIKey: ITUVPRZRSCWUPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-hydroxyphenyl)pyridazin-3-ol
• IUPAC Traditional name: 6-(2-hydroxyphenyl)pyridazin-3-ol
• Synonyms: 6-(2-hydroxyphenyl)pyridazin-3-ol

Database IDs

• MDL Number: MFCD16652669
• PubChem SID: 162100541
• PubChem CID: 6100704

CALCULATED PROPERTIES

• Acid pKa: 8.057868
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7950126
• LogD (pH = 7.4): 1.708349
• Log P: 1.796206
• Molar Refractivity: 52.8039 cm^3
• Polarizability: 20.709528 Å^3
• Polar Surface Area: 66.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.62

Product Information

• Purity: 95+%