6-hydrazinylpyridine-2-carbohydrazide

• ChemBase ID: 233665
• Molecular Formular: C6H9N5O
• Molecular Mass: 167.16856
• Monoisotopic Mass: 167.08070993
• SMILES: C(=O)(c1nc(NN)ccc1)NN
• Canonical SMILES: NNc1cccc(n1)C(=O)NN
• InChI: InChI=1S/C6H9N5O/c7-10-5-3-1-2-4(9-5)6(12)11-8/h1-3H,7-8H2,(H,9,10)(H,11,12)
• InChIKey: PYRUFDXVYXVLMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydrazinylpyridine-2-carbohydrazide
• IUPAC Traditional name: 6-hydrazinylpyridine-2-carbohydrazide
• Synonyms: 6-hydrazinopyridine-2-carbohydrazide

Database IDs

• CAS Number: 89465-52-1
• MDL Number: MFCD04618144
• PubChem SID: 164289575
• PubChem CID: 3305180

CALCULATED PROPERTIES

• Acid pKa: 14.117561
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -0.32163012
• LogD (pH = 7.4): -0.3183535
• Log P: -0.31831154
• Molar Refractivity: 47.1118 cm^3
• Polarizability: 16.306557 Å^3
• Polar Surface Area: 106.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.169

Product Information

• Purity: 95%