2-ethyl-5-nitropyridine

• ChemBase ID: 289262
• Molecular Formular: C7H8N2O2
• Molecular Mass: 152.15062
• Monoisotopic Mass: 152.05857751
• SMILES: O=[N+](c1cnc(CC)cc1)[O-]
• Canonical SMILES: CCc1ccc(cn1)[N+](=O)[O-]
• InChI: InChI=1S/C7H8N2O2/c1-2-6-3-4-7(5-8-6)9(10)11/h3-5H,2H2,1H3
• InChIKey: VUTMOONWKQEUBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-5-nitropyridine
• IUPAC Traditional name: 2-ethyl-5-nitropyridine
• Synonyms: 2-Ethyl-5-nitropyridine

Database IDs

• CAS Number: 31557-73-0
• MDL Number: MFCD03617763
• PubChem SID: 180674793
• PubChem CID: 4586382

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5274572
• LogD (pH = 7.4): 1.5274636
• Log P: 1.5274636
• Molar Refractivity: 39.44 cm^3
• Polarizability: 14.932517 Å^3
• Polar Surface Area: 56.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%