3-methoxy-2-methyl-6-nitropyridine

• ChemBase ID: 804046
• Molecular Formular: C7H8N2O3
• Molecular Mass: 168.15002
• Monoisotopic Mass: 168.05349213
• SMILES: c1c(c(nc(c1)[N+](=O)[O-])C)OC
• Canonical SMILES: COc1ccc(nc1C)[N+](=O)[O-]
• InChI: InChI=1S/C7H8N2O3/c1-5-6(12-2)3-4-7(8-5)9(10)11/h3-4H,1-2H3
• InChIKey: UOKVFMZISSJYNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-methyl-6-nitropyridine
• IUPAC Traditional name: 3-methoxy-2-methyl-6-nitropyridine
• Synonyms: 3-METHOXY-6-NITRO-2-PICOLINE

Database IDs

• CAS Number: 23904-02-1

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.263714
• LogD (pH = 7.4): 1.263714
• Log P: 1.263714
• Molar Refractivity: 41.5898 cm^3
• Polarizability: 15.673314 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%