2-bromo-5-nitropyrazine

• ChemBase ID: 288155
• Molecular Formular: C4H2BrN3O2
• Molecular Mass: 203.98158
• Monoisotopic Mass: 202.93303832
• SMILES: O=[N+](c1cnc(Br)cn1)[O-]
• Canonical SMILES: [O-][N+](=O)c1cnc(cn1)Br
• InChI: InChI=1S/C4H2BrN3O2/c5-3-1-7-4(2-6-3)8(9)10/h1-2H
• InChIKey: AODWTNYHOYDRJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-nitropyrazine
• IUPAC Traditional name: 2-bromo-5-nitropyrazine
• Synonyms: 2-Bromo-5-nitropyrazine

Database IDs

• CAS Number: 117103-53-4
• PubChem SID: 180673686
• PubChem CID: 14086959

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0466173
• LogD (pH = 7.4): 1.0466173
• Log P: 1.0466173
• Molar Refractivity: 36.8432 cm^3
• Polarizability: 13.743424 Å^3
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95%