2-bromo-5-chloropyridin-4-amine

• ChemBase ID: 814487
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: n1c(cc(c(c1)Cl)N)Br
• Canonical SMILES: Brc1ncc(c(c1)N)Cl
• InChI: InChI=1S/C5H4BrClN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)
• InChIKey: WGAUNCHRNBJWNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-chloropyridin-4-amine
• IUPAC Traditional name: 2-bromo-5-chloropyridin-4-amine
• Synonyms: 2-bromo-5-chloropyridin-4-amine

Database IDs

• CAS Number: 1060815-72-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4996715
• LogD (pH = 7.4): 1.5048996
• Log P: 1.5049667
• Molar Refractivity: 41.8713 cm^3
• Polarizability: 15.519049 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%