4-hydrazinyl-3-nitropyridine

• ChemBase ID: 92318
• Molecular Formular: C5H6N4O2
• Molecular Mass: 154.12674
• Monoisotopic Mass: 154.04907545
• SMILES: n1cc(c(cc1)NN)[N+](=O)[O-]
• Canonical SMILES: NNc1ccncc1[N+](=O)[O-]
• InChI: InChI=1S/C5H6N4O2/c6-8-4-1-2-7-3-5(4)9(10)11/h1-3H,6H2,(H,7,8)
• InChIKey: HWMWVURSDQRNDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-3-nitropyridine
• IUPAC Traditional name: 4-hydrazinyl-3-nitropyridine
• Synonyms: 4-Hydrazino-3-nitropyridine

Database IDs

• CAS Number: 33544-42-2
• MDL Number: MFCD00955679
• PubChem SID: 162079016
• PubChem CID: 4204463

CALCULATED PROPERTIES

• Acid pKa: 18.13997
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.69747806
• LogD (pH = 7.4): 0.73667705
• Log P: 0.7372002
• Molar Refractivity: 39.9283 cm^3
• Polarizability: 13.956282 Å^3
• Polar Surface Area: 94.08 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%