2-bromo-6-chloropyridin-4-amine

• ChemBase ID: 813709
• Molecular Formular: C5H4BrClN2
• Molecular Mass: 207.45566
• Monoisotopic Mass: 205.92463782
• SMILES: n1c(cc(cc1Cl)N)Br
• Canonical SMILES: Nc1cc(Cl)nc(c1)Br
• InChI: InChI=1S/C5H4BrClN2/c6-4-1-3(8)2-5(7)9-4/h1-2H,(H2,8,9)
• InChIKey: XSEUOIBVCAZEDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-chloropyridin-4-amine
• IUPAC Traditional name: 2-bromo-6-chloropyridin-4-amine
• Synonyms: 2-bromo-6-chloropyridin-4-amine

Database IDs

• CAS Number: 1060815-59-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7251079
• LogD (pH = 7.4): 1.7251434
• Log P: 1.7251439
• Molar Refractivity: 42.9326 cm^3
• Polarizability: 15.559433 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%