2-hydrazinylpyridine-3-carbonitrile

• ChemBase ID: 83148
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: N#Cc1cccnc1NN
• Canonical SMILES: NNc1ncccc1C#N
• InChI: InChI=1S/C6H6N4/c7-4-5-2-1-3-9-6(5)10-8/h1-3H,8H2,(H,9,10)
• InChIKey: AZCGMWOIUKMUHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinylpyridine-3-carbonitrile
• IUPAC Traditional name: 2-hydrazinylpyridine-3-carbonitrile
• Synonyms: 2-Hydrazinonicotinonitrile

Database IDs

• CAS Number: 368869-92-5
• MDL Number: MFCD03086231
• PubChem SID: 162070267
• PubChem CID: 2779717

CALCULATED PROPERTIES

• Acid pKa: 17.788803
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.5234689
• LogD (pH = 7.4): 0.5967154
• Log P: 0.59776974
• Molar Refractivity: 39.6429 cm^3
• Polarizability: 13.831423 Å^3
• Polar Surface Area: 74.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant