6-bromo-5-chloropyridin-3-amine

• ChemBase ID: 797437
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: n1cc(cc(c1Br)Cl)N
• Canonical SMILES: Nc1cnc(c(c1)Cl)Br
• InChI: InChI=1S/C5H4BrClN2/c6-5-4(7)1-3(8)2-9-5/h1-2H,8H2
• InChIKey: KGBNUDFDLHULJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-5-chloropyridin-3-amine
• IUPAC Traditional name: 6-bromo-5-chloropyridin-3-amine
• Synonyms: 6-BroMo-5-chloropyridin-3-aMine

Database IDs

• CAS Number: 30284-52-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5049645
• LogD (pH = 7.4): 1.5049667
• Log P: 1.5049667
• Molar Refractivity: 41.8713 cm^3
• Polarizability: 15.535146 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%