2-bromo-3-chloro-5-nitropyridine

• ChemBase ID: 67992
• Molecular Formular: C5H2BrClN2O2
• Molecular Mass: 237.43858
• Monoisotopic Mass: 235.89881699
• SMILES: c1(c(cc(cn1)[N+](=O)[O-])Cl)Br
• Canonical SMILES: [O-][N+](=O)c1cnc(c(c1)Cl)Br
• InChI: InChI=1S/C5H2BrClN2O2/c6-5-4(7)1-3(2-8-5)9(10)11/h1-2H
• InChIKey: VDVNBTTZUJOHJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-chloro-5-nitropyridine
• IUPAC Traditional name: 2-bromo-3-chloro-5-nitropyridine
• Synonyms: 2-Bromo-3-chloro-5-nitropyridine

Database IDs

• CAS Number: 22353-41-9
• MDL Number: MFCD08061302
• PubChem SID: 162033724
• PubChem CID: 14595218

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.273877
• LogD (pH = 7.4): 2.273877
• Log P: 2.273877
• Molar Refractivity: 43.4914 cm^3
• Polarizability: 16.51652 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: 95+%