3-(bromomethyl)pyridazine hydrobromide

• ChemBase ID: 289559
• Molecular Formular: C5H6Br2N2
• Molecular Mass: 253.92254
• Monoisotopic Mass: 251.8897722
• SMILES: BrCc1nnccc1.Br
• Canonical SMILES: BrCc1cccnn1.Br
• InChI: InChI=1S/C5H5BrN2.BrH/c6-4-5-2-1-3-7-8-5;/h1-3H,4H2;1H
• InChIKey: YITHZLOMDXHKDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(bromomethyl)pyridazine hydrobromide
• IUPAC Traditional name: 3-(bromomethyl)pyridazine hydrobromide
• Synonyms: 3-(Bromomethyl)pyridazine hydrobromide

Database IDs

• MDL Number: MFCD20526346
• PubChem SID: 180675090
• PubChem CID: 71464024

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6299122
• LogD (pH = 7.4): 0.63001144
• Log P: 0.6300127
• Molar Refractivity: 36.0926 cm^3
• Polarizability: 13.210567 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%