2,6-dibromo-4-nitropyridine

• ChemBase ID: 52679
• Molecular Formular: C5H2Br2N2O2
• Molecular Mass: 281.88958
• Monoisotopic Mass: 279.84830131
• SMILES: c1c(nc(cc1[N+](=O)[O-])Br)Br
• Canonical SMILES: Brc1cc(cc(n1)Br)[N+](=O)[O-]
• InChI: InChI=1S/C5H2Br2N2O2/c6-4-1-3(9(10)11)2-5(7)8-4/h1-2H
• InChIKey: XIPATZUHJFQGQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromo-4-nitropyridine
• IUPAC Traditional name: 2,6-dibromo-4-nitropyridine
• Synonyms: 2,6-Dibromo-4-nitropyridine; 2,6-Dibromo-4-nitro-pyridine

Database IDs

• CAS Number: 175422-04-5
• MDL Number: MFCD07369947
• PubChem SID: 162057442
• PubChem CID: 16038748

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6441069
• LogD (pH = 7.4): 2.6441069
• Log P: 2.6441069
• Molar Refractivity: 47.1516 cm^3
• Polarizability: 17.721743 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 90%; 95+%