6-methoxy-2-methyl-3-nitropyridine

• ChemBase ID: 180031
• Molecular Formular: C7H8N2O3
• Molecular Mass: 168.15002
• Monoisotopic Mass: 168.05349213
• SMILES: c1(ccc(c(n1)C)[N+](=O)[O-])OC
• Canonical SMILES: COc1ccc(c(n1)C)[N+](=O)[O-]
• InChI: InChI=1S/C7H8N2O3/c1-5-6(9(10)11)3-4-7(8-5)12-2/h3-4H,1-2H3
• InChIKey: GSJQJZOENXJWIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 5467-69-6
• PubChem SID: 164235941
• PubChem CID: 230475

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2637138
• LogD (pH = 7.4): 1.263714
• Log P: 1.263714
• Molar Refractivity: 41.5898 cm^3
• Polarizability: 15.668005 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%