2-ethoxy-3-nitropyridine

• ChemBase ID: 275420
• Molecular Formular: C7H8N2O3
• Molecular Mass: 168.15002
• Monoisotopic Mass: 168.05349213
• SMILES: [N+](=O)(c1c(nccc1)OCC)[O-]
• Canonical SMILES: CCOc1ncccc1[N+](=O)[O-]
• InChI: InChI=1S/C7H8N2O3/c1-2-12-7-6(9(10)11)4-3-5-8-7/h3-5H,2H2,1H3
• InChIKey: KJTXUEVNNJSFJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-3-nitropyridine
• IUPAC Traditional name: 2-ethoxy-3-nitropyridine
• Synonyms: 2-ethoxy-3-nitropyridine

Database IDs

• MDL Number: MFCD08461724
• PubChem SID: 164331330
• PubChem CID: 15786625

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4891516
• LogD (pH = 7.4): 1.4891518
• Log P: 1.4891518
• Molar Refractivity: 42.7511 cm^3
• Polarizability: 15.740501 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.583

Product Information

• Purity: 95%