2-bromo-5,6-dichloropyridin-3-amine

• ChemBase ID: 290344
• Molecular Formular: C5H3BrCl2N2
• Molecular Mass: 241.90072
• Monoisotopic Mass: 239.88566547
• SMILES: Nc1cc(Cl)c(Cl)nc1Br
• Canonical SMILES: Brc1nc(Cl)c(cc1N)Cl
• InChI: InChI=1S/C5H3BrCl2N2/c6-4-3(9)1-2(7)5(8)10-4/h1H,9H2
• InChIKey: OLDNQPYDCCDMJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5,6-dichloropyridin-3-amine
• IUPAC Traditional name: 2-bromo-5,6-dichloropyridin-3-amine
• Synonyms: 2-Bromo-5,6-dichloropyridin-3-amine

Database IDs

• CAS Number: 1253889-50-7
• PubChem SID: 180675875
• PubChem CID: 53217444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3291886
• LogD (pH = 7.4): 2.3291886
• Log P: 2.3291886
• Molar Refractivity: 47.7374 cm^3
• Polarizability: 17.598698 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%