2,4-dichloro-3-nitropyridine

• ChemBase ID: 52737
• Molecular Formular: C5H2Cl2N2O2
• Molecular Mass: 192.98758
• Monoisotopic Mass: 191.94933267
• SMILES: c1cc(c(c(n1)Cl)[N+](=O)[O-])Cl
• Canonical SMILES: [O-][N+](=O)c1c(Cl)ccnc1Cl
• InChI: InChI=1S/C5H2Cl2N2O2/c6-3-1-2-8-5(7)4(3)9(10)11/h1-2H
• InChIKey: RTXYIHGMYDJHEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-3-nitropyridine
• IUPAC Traditional name: 2,4-dichloro-3-nitropyridine
• Synonyms: 2,4-Dichloro-3-nitropyridine

Database IDs

• CAS Number: 5975-12-2
• MDL Number: MFCD09261088
• PubChem SID: 162057500
• PubChem CID: 10535773

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: 15.432786 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%; 95+%; 98%