4-nitropyridine

• ChemBase ID: 75126
• Molecular Formular: C5H4N2O2
• Molecular Mass: 124.09746
• Monoisotopic Mass: 124.02727738
• SMILES: n1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccncc1
• InChI: InChI=1S/C5H4N2O2/c8-7(9)5-1-3-6-4-2-5/h1-4H
• InChIKey: FEXIEMAAKBNTFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-nitropyridine
• IUPAC Traditional name: 4-nitropyridine
• Synonyms: 4-Nitropyridine

Database IDs

• MDL Number: MFCD00054554
• PubChem SID: 162040044
• PubChem CID: 70734

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6955103
• LogD (pH = 7.4): 0.695557
• Log P: 0.6955576
• Molar Refractivity: 31.2258 cm^3
• Polarizability: 11.35676 Å^3
• Polar Surface Area: 58.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true