5-bromo-3-(bromomethyl)pyridin-2-amine hydrobromide

• ChemBase ID: 806510
• Molecular Formular: C6H7Br3N2
• Molecular Mass: 346.84518
• Monoisotopic Mass: 343.81593423
• SMILES: Br.n1c(c(cc(c1)Br)CBr)N
• Canonical SMILES: BrCc1cc(Br)cnc1N.Br
• InChI: InChI=1S/C6H6Br2N2.BrH/c7-2-4-1-5(8)3-10-6(4)9;/h1,3H,2H2,(H2,9,10);1H
• InChIKey: HWARTXMPXSZHGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-(bromomethyl)pyridin-2-amine hydrobromide
• IUPAC Traditional name: 5-bromo-3-(bromomethyl)pyridin-2-amine hydrobromide
• Synonyms: 5-BROMO-3-(BROMOMETHYL)PYRIDIN-2-AMINE HYDROBROMIDE

Database IDs

• CAS Number: 335033-38-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9865166
• LogD (pH = 7.4): 2.0615427
• Log P: 2.062595
• Molar Refractivity: 49.3882 cm^3
• Polarizability: 18.286844 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%