3-methoxy-5-nitropyridine

• ChemBase ID: 289448
• Molecular Formular: C6H6N2O3
• Molecular Mass: 154.12344
• Monoisotopic Mass: 154.03784206
• SMILES: COc1cc(cnc1)[N+](=O)[O-]
• Canonical SMILES: COc1cncc(c1)[N+](=O)[O-]
• InChI: InChI=1S/C6H6N2O3/c1-11-6-2-5(8(9)10)3-7-4-6/h2-4H,1H3
• InChIKey: GOAONOKEEWITAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-5-nitropyridine
• IUPAC Traditional name: 3-methoxy-5-nitropyridine
• Synonyms: 3-Methoxy-5-nitropyridine

Database IDs

• CAS Number: 128203-37-2
• PubChem SID: 180674979
• PubChem CID: 15032978

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5378857
• LogD (pH = 7.4): 0.5378863
• Log P: 0.5378863
• Molar Refractivity: 36.6848 cm^3
• Polarizability: 13.917875 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%