2,4-dichloro-5-nitropyridine

• ChemBase ID: 67153
• Molecular Formular: C5H2Cl2N2O2
• Molecular Mass: 192.98758
• Monoisotopic Mass: 191.94933267
• SMILES: c1(cc(c(cn1)[N+](=O)[O-])Cl)Cl
• Canonical SMILES: [O-][N+](=O)c1cnc(cc1Cl)Cl
• InChI: InChI=1S/C5H2Cl2N2O2/c6-3-1-5(7)8-2-4(3)9(10)11/h1-2H
• InChIKey: RZVJQUMDJUUBBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-5-nitropyridine
• IUPAC Traditional name: 2,4-dichloro-5-nitropyridine
• Synonyms: 2,4-Dichloro-5-nitropyridine

Database IDs

• CAS Number: 4487-56-3
• MDL Number: MFCD07368834
• PubChem SID: 162032889
• PubChem CID: 12275765

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1238241
• LogD (pH = 7.4): 2.1238241
• Log P: 2.1238241
• Molar Refractivity: 40.8925 cm^3
• Polarizability: 15.4066305 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/Keep Cold/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%