2,4-dichloro-6-methyl-3-nitropyridine

• ChemBase ID: 294136
• Molecular Formular: C6H4Cl2N2O2
• Molecular Mass: 207.01416
• Monoisotopic Mass: 205.96498274
• SMILES: O=[N+](c1c(Cl)cc(C)nc1Cl)[O-]
• Canonical SMILES: Cc1cc(Cl)c(c(n1)Cl)[N+](=O)[O-]
• InChI: InChI=1S/C6H4Cl2N2O2/c1-3-2-4(7)5(10(11)12)6(8)9-3/h2H,1H3
• InChIKey: MTGIKTMXZFIZLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-methyl-3-nitropyridine
• IUPAC Traditional name: 2,4-dichloro-6-methyl-3-nitropyridine
• Synonyms: 2,4-Dichloro-6-methyl-3-nitropyridine

Database IDs

• CAS Number: 63897-12-1
• MDL Number: MFCD00218548
• PubChem SID: 180679667
• PubChem CID: 2784819

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2551942
• LogD (pH = 7.4): 2.2551942
• Log P: 2.2551942
• Molar Refractivity: 45.484 cm^3
• Polarizability: 17.164646 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%