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

• ChemBase ID: 114216
• Molecular Formular: C9H7N3O
• Molecular Mass: 173.17138
• Monoisotopic Mass: 173.05891186
• SMILES: n1nc(ccc1c1ncccc1)O
• Canonical SMILES: Oc1ccc(nn1)c1ccccn1
• InChI: InChI=1S/C9H7N3O/c13-9-5-4-8(11-12-9)7-3-1-2-6-10-7/h1-6H,(H,12,13)
• InChIKey: DDCLFSUBVBCSFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(pyridin-2-yl)pyridazin-3-ol
• IUPAC Traditional name: 6-(pyridin-2-yl)pyridazin-3-ol
• Synonyms: 6-pyridin-2-ylpyridazin-3-ol

Database IDs

• MDL Number: MFCD16652698
• PubChem SID: 162100543
• PubChem CID: 4980022

CALCULATED PROPERTIES

• Acid pKa: 8.131464
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2662953
• LogD (pH = 7.4): 1.1951438
• Log P: 1.2679492
• Molar Refractivity: 48.2941 cm^3
• Polarizability: 19.214975 Å^3
• Polar Surface Area: 58.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.85453

Product Information

• Purity: 95+%