2,4,6-tribromo-5-methylpyridin-3-amine

• ChemBase ID: 290804
• Molecular Formular: C6H5Br3N2
• Molecular Mass: 344.8293
• Monoisotopic Mass: 341.80028417
• SMILES: Nc1c(Br)c(C)c(Br)nc1Br
• Canonical SMILES: Cc1c(Br)nc(c(c1Br)N)Br
• InChI: InChI=1S/C6H5Br3N2/c1-2-3(7)4(10)6(9)11-5(2)8/h10H2,1H3
• InChIKey: XODVRXKJCGCDSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4,6-tribromo-5-methylpyridin-3-amine
• IUPAC Traditional name: 2,4,6-tribromo-5-methylpyridin-3-amine
• Synonyms: 2,4,6-Tribromo-5-methylpyridin-3-amine

Database IDs

• CAS Number: 126325-52-8
• PubChem SID: 180676335
• PubChem CID: 14418050

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1573708
• LogD (pH = 7.4): 3.1573708
• Log P: 3.1573708
• Molar Refractivity: 58.1955 cm^3
• Polarizability: 21.613369 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%