2,3-dimethoxy-6-nitropyridine

• ChemBase ID: 290803
• Molecular Formular: C7H8N2O4
• Molecular Mass: 184.14942
• Monoisotopic Mass: 184.04840675
• SMILES: O=[N+](c1ccc(OC)c(OC)n1)[O-]
• Canonical SMILES: COc1nc(ccc1OC)[N+](=O)[O-]
• InChI: InChI=1S/C7H8N2O4/c1-12-5-3-4-6(9(10)11)8-7(5)13-2/h3-4H,1-2H3
• InChIKey: QDBVUQQJSXYDHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 79491-44-4
• PubChem SID: 180676334
• PubChem CID: 12758211

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.5691301
• LogD (pH = 7.4): 1.5691301
• Log P: 1.5691301
• Molar Refractivity: 43.775 cm^3
• Polarizability: 16.492382 Å^3
• Polar Surface Area: 74.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%