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Search term: QNCLYUZPZYWWRK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-[(4-fluorobenzyl)amino]pyridine-3-carbonitrile | C13H10FN3

2-[(4-fluorobenzyl)amino]pyridine-3-carbonitrile

  • Molecular FormulaC13H10FN3
  • Average mass227.237 Da
  • Monoisotopic mass227.085876 Da
  • ChemSpider ID21804958

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[(4-Fluorbenzyl)amino]nicotinonitril [German] [ACD/IUPAC Name]
2-[(4-Fluorobenzyl)amino]nicotinonitrile [French] [ACD/IUPAC Name]
2-[(4-fluorobenzyl)amino]pyridine-3-carbonitrile
2-[[(4-Fluorophenyl)methyl]amino]-3-pyridinecarbonitrile
2-{[(4-fluorophenyl)methyl]amino}pyridine-3-carbonitrile
3-pyridinecarbonitrile, 2-[[(4-fluorophenyl)methyl]amino]- [ACD/Index Name]
854382-09-5 [RN]
2-((4-Fluorobenzyl)amino)nicotinonitrile
2-[(4-Fluorobenzyl)amino]nicotinonitrile [ACD/IUPAC Name]
2-[(4-fluorophenyl)methylamino]pyridine-3-carbonitrile

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD09455273 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 392.8±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.3±3.0 kJ/mol
    Flash Point: 191.4±26.5 °C
    Index of Refraction: 1.600
    Molar Refractivity: 62.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 2.70
    ACD/BCF (pH 5.5): 66.21
    ACD/KOC (pH 5.5): 699.36
    ACD/LogD (pH 7.4): 2.70
    ACD/BCF (pH 7.4): 66.39
    ACD/KOC (pH 7.4): 701.22
    Polar Surface Area: 49 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 55.4±5.0 dyne/cm
    Molar Volume: 181.9±5.0 cm3

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