5-bromo-6-chloropyridin-2-amine

• ChemBase ID: 65613
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: c1c(nc(c(c1)Br)Cl)N
• Canonical SMILES: Nc1ccc(c(n1)Cl)Br
• InChI: InChI=1S/C5H4BrClN2/c6-3-1-2-4(8)9-5(3)7/h1-2H,(H2,8,9)
• InChIKey: BUTBOALODZMXJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-6-chloropyridin-2-amine
• IUPAC Traditional name: 5-bromo-6-chloropyridin-2-amine
• Synonyms: 5-Bromo-6-chloropyridin-2-amine; 2-Amino-5-bromo-6-chloropyridine

Database IDs

• CAS Number: 358672-65-8
• MDL Number: MFCD11848481
• PubChem SID: 162031352
• PubChem CID: 22349203

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1140528
• LogD (pH = 7.4): 2.114079
• Log P: 2.1140795
• Molar Refractivity: 42.4039 cm^3
• Polarizability: 15.52939 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%