3-bromo-6-methoxypyridazine

• ChemBase ID: 68337
• Molecular Formular: C5H5BrN2O
• Molecular Mass: 189.01
• Monoisotopic Mass: 187.95852479
• SMILES: c1(ccc(nn1)OC)Br
• Canonical SMILES: COc1ccc(nn1)Br
• InChI: InChI=1S/C5H5BrN2O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3
• InChIKey: SWXXQESBTCWUIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-methoxypyridazine
• IUPAC Traditional name: 3-bromo-6-methoxypyridazine
• Synonyms: 3-Bromo-6-methoxypyridazine

Database IDs

• CAS Number: 17321-29-8
• MDL Number: MFCD09702456
• PubChem SID: 162034068
• PubChem CID: 252110

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1868643
• LogD (pH = 7.4): 1.1868644
• Log P: 1.1868644
• Molar Refractivity: 39.0061 cm^3
• Polarizability: 14.135049 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%