2-bromopyridin-3-amine hydrochloride

• ChemBase ID: 812827
• Molecular Formular: C5H6BrClN2
• Molecular Mass: 209.47154
• Monoisotopic Mass: 207.94028788
• SMILES: Cl.Nc1c(nccc1)Br
• Canonical SMILES: Nc1cccnc1Br.Cl
• InChI: InChI=1S/C5H5BrN2.ClH/c6-5-4(7)2-1-3-8-5;/h1-3H,7H2;1H
• InChIKey: DPNBJOJJJCUTQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromopyridin-3-amine hydrochloride
• IUPAC Traditional name: 2-bromopyridin-3-amine hydrochloride
• Synonyms: 2-BROMO-PYRIDIN-3-YLAMINE HCL

Database IDs

• CAS Number: 78607-34-8

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.90079755
• LogD (pH = 7.4): 0.9009205
• Log P: 0.90092206
• Molar Refractivity: 37.0665 cm^3
• Polarizability: 13.516765 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%