3,5-dibromo-6-chloropyridin-2-amine

• ChemBase ID: 294627
• Molecular Formular: C5H3Br2ClN2
• Molecular Mass: 286.35172
• Monoisotopic Mass: 283.83514979
• SMILES: Nc1nc(Cl)c(Br)cc1Br
• Canonical SMILES: Brc1cc(Br)c(nc1N)Cl
• InChI: InChI=1S/C5H3Br2ClN2/c6-2-1-3(7)5(9)10-4(2)8/h1H,(H2,9,10)
• InChIKey: IPUVLSFBMNPJSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-6-chloropyridin-2-amine
• IUPAC Traditional name: 3,5-dibromo-6-chloropyridin-2-amine
• Synonyms: 3,5-Dibromo-6-chloropyridin-2-amine

Database IDs

• CAS Number: 1261269-84-4
• MDL Number: MFCD18253545
• PubChem SID: 180680158
• PubChem CID: 53485753

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8828313
• LogD (pH = 7.4): 2.882832
• Log P: 2.882832
• Molar Refractivity: 50.0267 cm^3
• Polarizability: 18.699432 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%