3-bromo-2-hydrazinylpyridine

• ChemBase ID: 293842
• Molecular Formular: C5H6BrN3
• Molecular Mass: 188.02524
• Monoisotopic Mass: 186.97450921
• SMILES: NNc1ncccc1Br
• Canonical SMILES: NNc1ncccc1Br
• InChI: InChI=1S/C5H6BrN3/c6-4-2-1-3-8-5(4)9-7/h1-3H,7H2,(H,8,9)
• InChIKey: DUQSXMSCIRLMCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-hydrazinylpyridine
• IUPAC Traditional name: 3-bromo-2-hydrazinylpyridine
• Synonyms: 3-Bromo-2-hydrazinylpyridine

Database IDs

• CAS Number: 54231-41-3
• PubChem SID: 180679373
• PubChem CID: 50999406

CALCULATED PROPERTIES

• Acid pKa: 18.866354
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.42545375
• LogD (pH = 7.4): 1.4233661
• Log P: 1.5104262
• Molar Refractivity: 41.5441 cm^3
• Polarizability: 14.896973 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%