2-bromo-5-iodopyrazine

• ChemBase ID: 64519
• Molecular Formular: C4H2BrIN2
• Molecular Mass: 284.88055
• Monoisotopic Mass: 283.84460807
• SMILES: c1c(ncc(n1)I)Br
• Canonical SMILES: Brc1ncc(nc1)I
• InChI: InChI=1S/C4H2BrIN2/c5-3-1-8-4(6)2-7-3/h1-2H
• InChIKey: OHTQHZVNZWWYFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-iodopyrazine
• IUPAC Traditional name: 2-bromo-5-iodopyrazine
• Synonyms: 2-Bromo-5-iodopyrazine; 2-Bromo-5-iodopyrazine 95%

Database IDs

• CAS Number: 622392-04-5
• MDL Number: MFCD08061602
• PubChem SID: 162030258
• PubChem CID: 21931200

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4737077
• LogD (pH = 7.4): 1.4737077
• Log P: 1.4737077
• Molar Refractivity: 43.2798 cm^3
• Polarizability: 17.220192 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95-97°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 95%; 97%; 98%