2,6-dimethoxy-3,5-dinitropyridine

• ChemBase ID: 294158
• Molecular Formular: C7H7N3O6
• Molecular Mass: 229.14698
• Monoisotopic Mass: 229.03348496
• SMILES: O=[N+](c1c(OC)nc(OC)c([N+](=O)[O-])c1)[O-]
• Canonical SMILES: COc1nc(OC)c(cc1[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C7H7N3O6/c1-15-6-4(9(11)12)3-5(10(13)14)7(8-6)16-2/h3H,1-2H3
• InChIKey: SDSANVDGVIOROB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethoxy-3,5-dinitropyridine
• IUPAC Traditional name: 2,6-dimethoxy-3,5-dinitropyridine
• Synonyms: 2,6-Dimethoxy-3,5-dinitropyridine

Database IDs

• CAS Number: 18677-42-4
• PubChem SID: 180679689
• PubChem CID: 2784720

CALCULATED PROPERTIES

• Polar Surface Area: 117.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 16.34271
• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.5091143
• LogD (pH = 7.4): 1.5091143
• Log P: 1.5091143
• Molar Refractivity: 50.0955 cm^3
• Polarizability: 18.589024 Å^3

PROPERTIES

Product Information

• Purity: 95+%