2,6-dichloro-3-methyl-5-nitropyridine

• ChemBase ID: 288764
• Molecular Formular: C6H4Cl2N2O2
• Molecular Mass: 207.01416
• Monoisotopic Mass: 205.96498274
• SMILES: O=[N+](c1c(Cl)nc(Cl)c(C)c1)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc(C)c(nc1Cl)Cl
• InChI: InChI=1S/C6H4Cl2N2O2/c1-3-2-4(10(11)12)6(8)9-5(3)7/h2H,1H3
• InChIKey: XLKDPPLSOTVMFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dichloro-3-methyl-5-nitropyridine
• IUPAC Traditional name: 2,6-dichloro-3-methyl-5-nitropyridine
• Synonyms: 2,6-Dichloro-3-methyl-5-nitropyridine

Database IDs

• CAS Number: 58596-88-6
• PubChem SID: 180674295
• PubChem CID: 12265428

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8574226
• LogD (pH = 7.4): 2.8574226
• Log P: 2.8574226
• Molar Refractivity: 46.995 cm^3
• Polarizability: 17.187912 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%