2-methoxy-5-methyl-3-nitropyridine

• ChemBase ID: 92151
• Molecular Formular: C7H8N2O3
• Molecular Mass: 168.15002
• Monoisotopic Mass: 168.05349213
• SMILES: n1c(c(cc(c1)C)[N+](=O)[O-])OC
• Canonical SMILES: COc1ncc(cc1[N+](=O)[O-])C
• InChI: InChI=1S/C7H8N2O3/c1-5-3-6(9(10)11)7(12-2)8-4-5/h3-4H,1-2H3
• InChIKey: QCQICELALGZQRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-methyl-3-nitropyridine
• IUPAC Traditional name: 2-methoxy-5-methyl-3-nitropyridine
• Synonyms: 2-Methoxy-5-methyl-3-nitropyridine 98%; 2-Methoxy-5-Methyl-3-nitropyridine

Database IDs

• CAS Number: 33252-62-9
• MDL Number: MFCD09258778
• PubChem SID: 162078849
• PubChem CID: 26967603

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6457652
• LogD (pH = 7.4): 1.6457652
• Log P: 1.6457652
• Molar Refractivity: 42.0395 cm^3
• Polarizability: 15.669117 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%