2,4-dichloro-6-nitropyridine

• ChemBase ID: 288500
• Molecular Formular: C5H2Cl2N2O2
• Molecular Mass: 192.98758
• Monoisotopic Mass: 191.94933267
• SMILES: O=[N+](c1cc(Cl)cc(Cl)n1)[O-]
• Canonical SMILES: Clc1cc(Cl)nc(c1)[N+](=O)[O-]
• InChI: InChI=1S/C5H2Cl2N2O2/c6-3-1-4(7)8-5(2-3)9(10)11/h1-2H
• InChIKey: RHPOXXQUAPLUIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-nitropyridine
• IUPAC Traditional name: 2,4-dichloro-6-nitropyridine
• Synonyms: 2,4-Dichloro-6-nitropyridine

Database IDs

• CAS Number: 1379337-73-1
• MDL Number: MFCD19707599
• PubChem SID: 180674031
• PubChem CID: 70701203

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7182817
• LogD (pH = 7.4): 2.7182817
• Log P: 2.7182817
• Molar Refractivity: 41.206 cm^3
• Polarizability: 15.38761 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%