(2E)-2-hydrazinylidene-2,3-dihydropyridine-3-carbonitrile

• ChemBase ID: 799124
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: N1=CC=CC(/C/1=N\N)C#N
• Canonical SMILES: N#CC1C=CC=N/C/1=N/N
• InChI: InChI=1S/C6H6N4/c7-4-5-2-1-3-9-6(5)10-8/h1-3,5H,8H2/b10-6+
• InChIKey: ASRUDRXNOJIZAQ-UXBLZVDNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-2-hydrazinylidene-2,3-dihydropyridine-3-carbonitrile
• IUPAC Traditional name: (2E)-2-hydrazinylidene-3H-pyridine-3-carbonitrile
• Synonyms: (E)-2-hydrazono-2,3-dihydropyridine-3-carbonitrile

Database IDs

• CAS Number: 368869-92-5

CALCULATED PROPERTIES

• Acid pKa: 6.2709613
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.84207416
• LogD (pH = 7.4): -1.8702345
• Log P: -0.76708126
• Molar Refractivity: 39.0974 cm^3
• Polarizability: 13.54848 Å^3
• Polar Surface Area: 74.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%