4-bromo-5-chloropyridin-2-amine

• ChemBase ID: 801164
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: n1c(cc(c(c1)Cl)Br)N
• Canonical SMILES: Nc1ncc(c(c1)Br)Cl
• InChI: InChI=1S/C5H4BrClN2/c6-3-1-5(8)9-2-4(3)7/h1-2H,(H2,8,9)
• InChIKey: VIZMARKIEQIMIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1187449-01-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.887094
• LogD (pH = 7.4): 1.8938159
• Log P: 1.8939023
• Molar Refractivity: 41.3426 cm^3
• Polarizability: 15.472967 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%