3-bromopyridin-4-amine hydrochloride

• ChemBase ID: 811204
• Molecular Formular: C5H6BrClN2
• Molecular Mass: 209.47154
• Monoisotopic Mass: 207.94028788
• SMILES: Cl.Nc1c(cncc1)Br
• Canonical SMILES: Nc1ccncc1Br.Cl
• InChI: InChI=1S/C5H5BrN2.ClH/c6-4-3-8-2-1-5(4)7;/h1-3H,(H2,7,8);1H
• InChIKey: VHCPAVSPBGKGSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromopyridin-4-amine hydrochloride
• IUPAC Traditional name: 4-amino-3-bromopyridine hydrochloride
• Synonyms: 3-BROMO-PYRIDIN-4-YLAMINE HCL

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.23998325
• LogD (pH = 7.4): 0.45848006
• Log P: 0.69540006
• Molar Refractivity: 36.2243 cm^3
• Polarizability: 13.465082 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%