6-bromo-3-chloropyridin-2-amine

• ChemBase ID: 813715
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: n1c(c(ccc1Br)Cl)N
• Canonical SMILES: Brc1ccc(c(n1)N)Cl
• InChI: InChI=1S/C5H4BrClN2/c6-4-2-1-3(7)5(8)9-4/h1-2H,(H2,8,9)
• InChIKey: YWTWJLZYZLZQFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-3-chloropyridin-2-amine
• IUPAC Traditional name: 6-bromo-3-chloropyridin-2-amine
• Synonyms: 6-bromo-3-chloropyridin-2-amine

Database IDs

• CAS Number: 1060815-73-7

CALCULATED PROPERTIES

• Acid pKa: 19.810957
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.099383
• LogD (pH = 7.4): 2.0994236
• Log P: 2.0994244
• Molar Refractivity: 42.1848 cm^3
• Polarizability: 15.52198 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%