6-hydrazinylpyridine-3-carbohydrazide

• ChemBase ID: 33541
• Molecular Formular: C6H9N5O
• Molecular Mass: 167.16856
• Monoisotopic Mass: 167.08070993
• SMILES: c1(C(=O)NN)cnc(NN)cc1
• Canonical SMILES: NNc1ccc(cn1)C(=O)NN
• InChI: InChI=1S/C6H9N5O/c7-10-5-2-1-4(3-9-5)6(12)11-8/h1-3H,7-8H2,(H,9,10)(H,11,12)
• InChIKey: ODMSFJDLANJZHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-hydrazinylpyridine-3-carbohydrazide
• IUPAC Traditional name: 6-hydrazinylpyridine-3-carbohydrazide
• Synonyms: 6-Hydrazinonicotinohydrazide

Database IDs

• MDL Number: MFCD04625691
• PubChem SID: 160996848
• PubChem CID: 2405731

CALCULATED PROPERTIES

• Acid pKa: 13.9804735
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -0.92526627
• LogD (pH = 7.4): -0.70784336
• Log P: -0.7041619
• Molar Refractivity: 47.4838 cm^3
• Polarizability: 16.300941 Å^3
• Polar Surface Area: 106.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false