5-chloropyridazin-3-ol

• ChemBase ID: 802495
• Molecular Formular: C4H3ClN2O
• Molecular Mass: 130.53242
• Monoisotopic Mass: 129.99339041
• SMILES: n1nc(cc(c1)Cl)O
• Canonical SMILES: Clc1cnnc(c1)O
• InChI: InChI=1S/C4H3ClN2O/c5-3-1-4(8)7-6-2-3/h1-2H,(H,7,8)
• InChIKey: NHMLZGFOEYLZEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloropyridazin-3-ol
• IUPAC Traditional name: 5-chloropyridazin-3-ol
• Synonyms: 5-CHLOROPYRIDAZIN-3-OL

Database IDs

• CAS Number: 660425-07-0

CALCULATED PROPERTIES

• Acid pKa: 6.9512076
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.65586126
• LogD (pH = 7.4): 0.10770452
• Log P: 0.6707403
• Molar Refractivity: 30.8636 cm^3
• Polarizability: 11.162705 Å^3
• Polar Surface Area: 46.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%