2,4-dimethoxy-5-nitropyridine

• ChemBase ID: 799258
• Molecular Formular: C7H8N2O4
• Molecular Mass: 184.14942
• Monoisotopic Mass: 184.04840675
• SMILES: n1c(cc(c(c1)[N+](=O)[O-])OC)OC
• Canonical SMILES: COc1cc(OC)ncc1[N+](=O)[O-]
• InChI: InChI=1S/C7H8N2O4/c1-12-6-3-7(13-2)8-4-5(6)9(10)11/h3-4H,1-2H3
• InChIKey: ORDVECANPFZAQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxy-5-nitropyridine
• IUPAC Traditional name: 2,4-dimethoxy-5-nitropyridine
• Synonyms: 2,4-Dimethoxy-5-nitro-pyridine

Database IDs

• CAS Number: 607373-84-2

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.97467196
• LogD (pH = 7.4): 0.97467256
• Log P: 0.97467256
• Molar Refractivity: 43.4615 cm^3
• Polarizability: 16.482187 Å^3
• Polar Surface Area: 74.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%