2-hydrazinyl-5-nitropyridine

• ChemBase ID: 41376
• Molecular Formular: C5H6N4O2
• Molecular Mass: 154.12674
• Monoisotopic Mass: 154.04907545
• SMILES: c1(cnc(NN)cc1)[N+](=O)[O-]
• Canonical SMILES: NNc1ccc(cn1)[N+](=O)[O-]
• InChI: InChI=1S/C5H6N4O2/c6-8-5-2-1-4(3-7-5)9(10)11/h1-3H,6H2,(H,7,8)
• InChIKey: DDWAPSXNXHYQLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-5-nitropyridine
• IUPAC Traditional name: 2-hydrazinyl-5-nitropyridine
• Synonyms: 2-Hydrazino-5-nitropyridine

Database IDs

• CAS Number: 6343-98-2
• MDL Number: MFCD00118332
• PubChem SID: 162046139
• PubChem CID: 4031931

CALCULATED PROPERTIES

• Acid pKa: 18.654585
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.66091144
• LogD (pH = 7.4): 0.681359
• Log P: 0.68165773
• Molar Refractivity: 41.246 cm^3
• Polarizability: 13.958237 Å^3
• Polar Surface Area: 96.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 194 - 196°C; 195 - 196 °C; 195-196°C
• Hydrophobicity(logP): 0.546

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%