3,5-dibromo-4-methylpyridin-2-amine

• ChemBase ID: 24245
• Molecular Formular: C6H6Br2N2
• Molecular Mass: 265.93324
• Monoisotopic Mass: 263.8897722
• SMILES: c1(c(c(c(cn1)Br)C)Br)N
• Canonical SMILES: Brc1cnc(c(c1C)Br)N
• InChI: InChI=1S/C6H6Br2N2/c1-3-4(7)2-10-6(9)5(3)8/h2H,1H3,(H2,9,10)
• InChIKey: LLGXZSVWYCKUBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-4-methylpyridin-2-amine
• IUPAC Traditional name: 3,5-dibromo-4-methylpyridin-2-amine
• Synonyms: 2-Amino-3,5-dibromo-4-methylpyridine; 3,5-Dibromo-4-methylpyridin-2-amine

Database IDs

• CAS Number: 3430-29-3
• MDL Number: MFCD01646065
• PubChem SID: 160987552
• PubChem CID: 817683

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5328887
• LogD (pH = 7.4): 2.5715146
• Log P: 2.5720315
• Molar Refractivity: 49.2018 cm^3
• Polarizability: 18.316809 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%