pyridazin-3-ylmethanol

• ChemBase ID: 63219
• Molecular Formular: C5H6N2O
• Molecular Mass: 110.11394
• Monoisotopic Mass: 110.04801282
• SMILES: n1ncccc1CO
• Canonical SMILES: OCc1cccnn1
• InChI: InChI=1S/C5H6N2O/c8-4-5-2-1-3-6-7-5/h1-3,8H,4H2
• InChIKey: STIKETVNLGXQCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridazin-3-ylmethanol; (pyridazin-3-yl)methanol
• IUPAC Traditional name: pyridazin-3-ylmethanol
• Synonyms: 3-Pyridazinemethanol; (Pyridazin-3-yl)methanol; 3-(Hydroxymethyl)pyridazine 98%; Pyridazin-3-ylmethanol; 3-(HYDROXYMETHYL)PYRIDAZINE

Database IDs

• CAS Number: 37444-46-5
• MDL Number: MFCD04972629
• PubChem SID: 162028958
• PubChem CID: 2794575

CALCULATED PROPERTIES

• Acid pKa: 13.969073
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.910176
• LogD (pH = 7.4): -0.91007584
• Log P: -0.9100744
• Molar Refractivity: 30.0581 cm^3
• Polarizability: 11.01709 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%; 98%