2,6-dibromo-3-nitropyridine

• ChemBase ID: 67466
• Molecular Formular: C5H2Br2N2O2
• Molecular Mass: 281.88958
• Monoisotopic Mass: 279.84830131
• SMILES: c1(c(ccc(n1)Br)[N+](=O)[O-])Br
• Canonical SMILES: [O-][N+](=O)c1ccc(nc1Br)Br
• InChI: InChI=1S/C5H2Br2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2H
• InChIKey: FFRFTURYWWFKIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromo-3-nitropyridine
• IUPAC Traditional name: 2,6-dibromo-3-nitropyridine
• Synonyms: 2,6-Dibromo-3-nitropyridine

Database IDs

• CAS Number: 55304-80-8
• MDL Number: MFCD00233995
• PubChem SID: 162033201
• PubChem CID: 555053

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: 17.727528 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%