5-bromo-3-iodo-6-methylpyridin-2-amine

• ChemBase ID: 50508
• Molecular Formular: C6H6BrIN2
• Molecular Mass: 312.93371
• Monoisotopic Mass: 311.8759082
• SMILES: c1(c(cc(c(n1)N)I)Br)C
• Canonical SMILES: Brc1cc(I)c(nc1C)N
• InChI: InChI=1S/C6H6BrIN2/c1-3-4(7)2-5(8)6(9)10-3/h2H,1H3,(H2,9,10)
• InChIKey: PEDOOHCESFJXBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-3-iodo-6-methylpyridin-2-amine
• IUPAC Traditional name: 5-bromo-3-iodo-6-methylpyridin-2-amine
• Synonyms: 6-Amino-3-bromo-5-iodo-2-methylpyridine; 5-bromo-3-iodo-6-methylpyridin-2-amine

Database IDs

• CAS Number: 958357-86-3
• MDL Number: MFCD09880093
• PubChem SID: 162055271
• PubChem CID: 24729532

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3216195
• LogD (pH = 7.4): 2.3498006
• Log P: 2.3501723
• Molar Refractivity: 54.4918 cm^3
• Polarizability: 20.708788 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 137°C
• Hydrophobicity(logP): 2.969

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%