3-bromo-6-chloropyridin-2-amine

• ChemBase ID: 287804
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: Nc1nc(Cl)ccc1Br
• Canonical SMILES: Clc1ccc(c(n1)N)Br
• InChI: InChI=1S/C5H4BrClN2/c6-3-1-2-4(7)9-5(3)8/h1-2H,(H2,8,9)
• InChIKey: OSFDXYVWIQEZHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 442127-50-6
• PubChem SID: 180673335
• PubChem CID: 52987943

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1140537
• LogD (pH = 7.4): 2.1140792
• Log P: 2.1140795
• Molar Refractivity: 42.4039 cm^3
• Polarizability: 15.518885 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%