5-bromo-4-chloropyridin-2-amine

• ChemBase ID: 63556
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: c1(cnc(cc1Cl)N)Br
• Canonical SMILES: Nc1ncc(c(c1)Cl)Br
• InChI: InChI=1S/C5H4BrClN2/c6-3-2-9-5(8)1-4(3)7/h1-2H,(H2,8,9)
• InChIKey: DDOFUMWLNSICHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-4-chloropyridin-2-amine
• IUPAC Traditional name: 5-bromo-4-chloropyridin-2-amine
• Synonyms: 5-Bromo-4-chloropyridin-2-amine; 5-Bromo-4-chloro-2-aminopyridine

Database IDs

• CAS Number: 942947-94-6
• MDL Number: MFCD12407282
• PubChem SID: 162029295
• PubChem CID: 44181812

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8777782
• LogD (pH = 7.4): 1.8936952
• Log P: 1.8939023
• Molar Refractivity: 41.3426 cm^3
• Polarizability: 15.477341 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: >95%; 95+%; 98%