ChemSpider 2D Image | 3,5-Dichloro-4-{4-[(6-methyl-4-pyrimidinyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl}benzonitrile | C18H11Cl2N7

3,5-Dichloro-4-{4-[(6-methyl-4-pyrimidinyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl}benzonitrile

  • Molecular FormulaC18H11Cl2N7
  • Average mass396.233 Da
  • Monoisotopic mass395.045288 Da
  • ChemSpider ID76757859

More details:

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

3,5-Dichlor-4-{4-[(6-methyl-4-pyrimidinyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl}benzonitril [German] [ACD/IUPAC Name]
3,5-Dichloro-4-{4-[(6-methyl-4-pyrimidinyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl}benzonitrile [ACD/IUPAC Name]
3,5-Dichloro-4-{4-[(6-méthyl-4-pyrimidinyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3,5-dichloro-4-[4-[(6-methyl-4-pyrimidinyl)amino]-3H-imidazo[4,5-c]pyridin-2-yl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 658.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 352.0±34.3 °C
Index of Refraction: 1.749
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 84.93
ACD/KOC (pH 5.5): 580.26
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 100.56
ACD/KOC (pH 7.4): 687.04
Polar Surface Area: 103 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 99.3±5.0 dyne/cm
Molar Volume: 249.1±5.0 cm3

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