3-bromo-5-chloro-4-methylpyridin-2-amine

• ChemBase ID: 290342
• Molecular Formular: C6H6BrClN2
• Molecular Mass: 221.48224
• Monoisotopic Mass: 219.94028788
• SMILES: Nc1ncc(Cl)c(C)c1Br
• Canonical SMILES: Clc1cnc(c(c1C)Br)N
• InChI: InChI=1S/C6H6BrClN2/c1-3-4(8)2-10-6(9)5(3)7/h2H,1H3,(H2,9,10)
• InChIKey: OWJIALCPQCHFFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-5-chloro-4-methylpyridin-2-amine
• IUPAC Traditional name: 3-bromo-5-chloro-4-methylpyridin-2-amine
• Synonyms: 3-Bromo-5-chloro-4-methylpyridin-2-amine

Database IDs

• CAS Number: 1199773-28-8
• PubChem SID: 180675873
• PubChem CID: 53217357

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3817563
• LogD (pH = 7.4): 2.4069915
• Log P: 2.4073236
• Molar Refractivity: 46.3838 cm^3
• Polarizability: 17.190107 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%