6-bromo-2,4-dichloropyridin-3-amine

• ChemBase ID: 52739
• Molecular Formular: C5H3BrCl2N2
• Molecular Mass: 241.90072
• Monoisotopic Mass: 239.88566547
• SMILES: c1(cc(c(c(n1)Cl)N)Cl)Br
• Canonical SMILES: Brc1cc(Cl)c(c(n1)Cl)N
• InChI: InChI=1S/C5H3BrCl2N2/c6-3-1-2(7)4(9)5(8)10-3/h1H,9H2
• InChIKey: MNMVXSHYBWKOIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2,4-dichloropyridin-3-amine
• IUPAC Traditional name: 6-bromo-2,4-dichloropyridin-3-amine
• Synonyms: 6-Bromo-2,4-dichloropyridin-3-amine; 3-AMINO-6-BROMO-2,4-DICHLOROPYRIDINE

Database IDs

• CAS Number: 237435-16-4
• MDL Number: MFCD09750300
• PubChem SID: 162057502
• PubChem CID: 10824047

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: 17.579119 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%; 98%