2-ethoxy-4-nitropyridine

• ChemBase ID: 292300
• Molecular Formular: C7H8N2O3
• Molecular Mass: 168.15002
• Monoisotopic Mass: 168.05349213
• SMILES: CCOc1nccc(c1)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc(OCC)ncc1
• InChI: InChI=1S/C7H8N2O3/c1-2-12-7-5-6(9(10)11)3-4-8-7/h3-5H,2H2,1H3
• InChIKey: KMLVTBQETPUDFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-4-nitropyridine
• IUPAC Traditional name: 2-ethoxy-4-nitropyridine
• Synonyms: 2-Ethoxy-4-nitropyridine

Database IDs

• CAS Number: 1187732-70-2
• PubChem SID: 180677831
• PubChem CID: 53485319

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4891517
• LogD (pH = 7.4): 1.4891518
• Log P: 1.4891518
• Molar Refractivity: 41.7469 cm^3
• Polarizability: 15.73809 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%