pyridazin-4-ylmethanol

• ChemBase ID: 63208
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: c1c(cnnc1)CO
• Canonical SMILES: OCc1ccnnc1
• InChI: InChI=1S/C5H6N2O/c8-4-5-1-2-6-7-3-5/h1-3,8H,4H2
• InChIKey: GXWAGVFGTPTYAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridazin-4-ylmethanol
• IUPAC Traditional name: pyridazin-4-ylmethanol
• Synonyms: 4-Pyridazinemethanol

Database IDs

• CAS Number: 50901-43-4
• MDL Number: MFCD06227446
• PubChem SID: 162028947
• PubChem CID: 13316256

CALCULATED PROPERTIES

• Acid pKa: 14.424633
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.99176264
• LogD (pH = 7.4): -0.9915491
• Log P: -0.99154633
• Molar Refractivity: 30.5803 cm^3
• Polarizability: 11.015653 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%