3,5-dichloro-4-nitropyridine

• ChemBase ID: 67434
• Molecular Formular: C5H2Cl2N2O2
• Molecular Mass: 192.98758
• Monoisotopic Mass: 191.94933267
• SMILES: c1c(c(c(cn1)Cl)[N+](=O)[O-])Cl
• Canonical SMILES: [O-][N+](=O)c1c(Cl)cncc1Cl
• InChI: InChI=1S/C5H2Cl2N2O2/c6-3-1-8-2-4(7)5(3)9(10)11/h1-2H
• InChIKey: JGZHZSXAYXXCFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dichloro-4-nitropyridine
• IUPAC Traditional name: 3,5-dichloro-4-nitropyridine
• Synonyms: 3,5-Dichloro-4-nitropyridine

Database IDs

• CAS Number: 433294-98-5
• MDL Number: MFCD06254584
• PubChem SID: 162033169
• PubChem CID: 4738458

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.903647
• LogD (pH = 7.4): 1.903647
• Log P: 1.903647
• Molar Refractivity: 39.8312 cm^3
• Polarizability: 15.401794 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+%