ChemSpider 2D Image | 1-{2-[(5-Bromo-2-pyridinyl)amino]ethyl}-1H-pyrazole-4-carbonitrile | C11H10BrN5

1-{2-[(5-Bromo-2-pyridinyl)amino]ethyl}-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC11H10BrN5
  • Average mass292.135 Da
  • Monoisotopic mass291.011963 Da
  • ChemSpider ID30182827

More details:

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

1-{2-[(5-Brom-2-pyridinyl)amino]ethyl}-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
1-{2-[(5-Bromo-2-pyridinyl)amino]ethyl}-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
1-{2-[(5-Bromo-2-pyridinyl)amino]éthyl}-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carbonitrile, 1-[2-[(5-bromo-2-pyridinyl)amino]ethyl]- [ACD/Index Name]
1-{2-[(5-BROMOPYRIDIN-2-YL)AMINO]ETHYL}-1H-PYRAZOLE-4-CARBONITRILE
1-{2-[(5-BROMOPYRIDIN-2-YL)AMINO]ETHYL}PYRAZOLE-4-CARBONITRILE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 482.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 245.4±28.7 °C
Index of Refraction: 1.681
Molar Refractivity: 70.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.35
ACD/KOC (pH 5.5): 283.56
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.95
ACD/KOC (pH 7.4): 307.01
Polar Surface Area: 67 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 187.0±7.0 cm3

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