2-ethyl-4-nitropyridine

• ChemBase ID: 801111
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: n1c(cc(cc1)[N+](=O)[O-])CC
• Canonical SMILES: CCc1nccc(c1)[N+](=O)[O-]
• InChI: InChI=1S/C7H8N2O2/c1-2-6-5-7(9(10)11)3-4-8-6/h3-5H,2H2,1H3
• InChIKey: CYBBSQRKLYDNFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-4-nitropyridine
• IUPAC Traditional name: 2-ethyl-4-nitropyridine
• Synonyms: 2-ETHYL-4-NITROPYRIDINE

Database IDs

• CAS Number: 101860-96-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.527408
• LogD (pH = 7.4): 1.5274628
• Log P: 1.5274636
• Molar Refractivity: 39.44 cm^3
• Polarizability: 14.932801 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%