(2E)-4,6-difluoro-2-hydrazinylidene-2,3-dihydropyridine

• ChemBase ID: 294738
• Molecular Formular: C5H5F2N3
• Molecular Mass: 145.1101064
• Monoisotopic Mass: 145.04515362
• SMILES: N/N=C/1\CC(=CC(=N1)F)F
• Canonical SMILES: N/N=C/1\CC(=CC(=N1)F)F
• InChI: InChI=1S/C5H5F2N3/c6-3-1-4(7)9-5(2-3)10-8/h1H,2,8H2/b10-5+
• InChIKey: GLYSUNHNNREJTL-BJMVGYQFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E)-4,6-difluoro-2-hydrazinylidene-2,3-dihydropyridine
• IUPAC Traditional name: (6E)-2,4-difluoro-6-hydrazinylidene-5H-pyridine
• Synonyms: 4,6-Difluoro-2-hydrazono-2,3-dihydropyridine

Database IDs

• CAS Number: 837364-98-4
• MDL Number: MFCD09031028
• PubChem SID: 180680269
• PubChem CID: 72206661

CALCULATED PROPERTIES

• Acid pKa: 8.129295
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3809502
• LogD (pH = 7.4): -0.45415083
• Log P: -0.37993202
• Molar Refractivity: 34.1031 cm^3
• Polarizability: 11.495433 Å^3
• Polar Surface Area: 50.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%