2,3-dibromo-5-nitropyridine

• ChemBase ID: 70874
• Molecular Formular: C5H2Br2N2O2
• Molecular Mass: 281.88958
• Monoisotopic Mass: 279.84830131
• SMILES: c1(c(cc(cn1)[N+](=O)[O-])Br)Br
• Canonical SMILES: [O-][N+](=O)c1cnc(c(c1)Br)Br
• InChI: InChI=1S/C5H2Br2N2O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H
• InChIKey: BPMGYPAEPOYAMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dibromo-5-nitropyridine
• IUPAC Traditional name: 2,3-dibromo-5-nitropyridine
• Synonyms: 2,3-Dibromo-5-nitropyridine

Database IDs

• CAS Number: 15862-36-9
• MDL Number: MFCD00233994
• PubChem SID: 162036582
• PubChem CID: 1201425

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4385848
• LogD (pH = 7.4): 2.4385848
• Log P: 2.4385848
• Molar Refractivity: 46.3094 cm^3
• Polarizability: 17.683123 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 76 - 78°C
• Hydrophobicity(logP): 2.134

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%