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

• ChemBase ID: 297220
• Molecular Formular: C6H6BrIN2
• Molecular Mass: 312.93371
• Monoisotopic Mass: 311.8759082
• SMILES: Cc1c(cc(c(n1)N)Br)I
• Canonical SMILES: Brc1cc(I)c(nc1N)C
• InChI: InChI=1S/C6H6BrIN2/c1-3-5(8)2-4(7)6(9)10-3/h2H,1H3,(H2,9,10)
• InChIKey: QQZKUNPPBHLAII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 958357-86-3
• MDL Number: MFCD09880093
• PubChem SID: 180682751
• PubChem CID: 17311091

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3216486
• LogD (pH = 7.4): 2.349801
• Log P: 2.3501723
• Molar Refractivity: 54.4918 cm^3
• Polarizability: 20.706964 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140-142°C

Safety Information

• Storage Warning: Light Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 95%