(6-chloropyridazin-3-yl)methanol

• ChemBase ID: 292697
• Molecular Formular: C5H5ClN2O
• Molecular Mass: 144.559
• Monoisotopic Mass: 144.00904047
• SMILES: OCc1ccc(Cl)nn1
• Canonical SMILES: OCc1ccc(nn1)Cl
• InChI: InChI=1S/C5H5ClN2O/c6-5-2-1-4(3-9)7-8-5/h1-2,9H,3H2
• InChIKey: NEWRIXKPAGUARA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-chloropyridazin-3-yl)methanol
• IUPAC Traditional name: (6-chloropyridazin-3-yl)methanol
• Synonyms: (6-Chloropyridazin-3-yl)methanol

Database IDs

• CAS Number: 1011487-94-7
• PubChem SID: 180678228
• PubChem CID: 20557609

CALCULATED PROPERTIES

• Acid pKa: 13.963518
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.08585441
• LogD (pH = 7.4): -0.08585273
• Log P: -0.085852586
• Molar Refractivity: 35.9242 cm^3
• Polarizability: 13.034171 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%