5-bromo-3-chloropyridin-2-amine

• ChemBase ID: 798864
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: n1c(c(cc(c1)Br)Cl)N
• Canonical SMILES: Brc1cnc(c(c1)Cl)N
• InChI: InChI=1S/C5H4BrClN2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)
• InChIKey: VXCUGLKQXLPHKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-chloropyridin-2-amine
• IUPAC Traditional name: 5-bromo-3-chloropyridin-2-amine
• Synonyms: 5-bromo-3-chloropyridin-2-amine

Database IDs

• CAS Number: 38185-55-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8912399
• LogD (pH = 7.4): 1.8938687
• Log P: 1.8939023
• Molar Refractivity: 41.3426 cm^3
• Polarizability: 15.477231 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%