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

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

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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