2-hydrazinyl-5-methyl-3-nitropyridine

• ChemBase ID: 91579
• Molecular Formular: C6H8N4O2
• Molecular Mass: 168.15332
• Monoisotopic Mass: 168.06472552
• SMILES: n1c(c(cc(c1)C)[N+](=O)[O-])NN
• Canonical SMILES: [O-][N+](=O)c1cc(C)cnc1NN
• InChI: InChI=1S/C6H8N4O2/c1-4-2-5(10(11)12)6(9-7)8-3-4/h2-3H,7H2,1H3,(H,8,9)
• InChIKey: XDMWWISPNLFVGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-5-methyl-3-nitropyridine
• IUPAC Traditional name: 2-hydrazinyl-5-methyl-3-nitropyridine
• Synonyms: 2-Hydrazino-5-methyl-3-nitropyridine 98%

Database IDs

• MDL Number: MFCD09027277
• PubChem SID: 162078278
• PubChem CID: 25307170

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): 1.7221003
• LogD (pH = 7.4): 1.837181
• Log P: 1.8450791
• Molar Refractivity: 46.2872 cm^3
• Polarizability: 15.707331 Å^3
• Polar Surface Area: 96.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 15.793782
• H Acceptors: 5

PROPERTIES

Safety Information

• Storage Warning: Irritant