ChemSpider 2D Image | N-(2-Bromophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine | C17H12BrN5

N-(2-Bromophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine

  • Molecular FormulaC17H12BrN5
  • Average mass366.215 Da
  • Monoisotopic mass365.027588 Da
  • ChemSpider ID23275486

More details:

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

2-pyrimidinamine, N-(2-bromophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)- [ACD/Index Name]
N-(2-Bromophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine [ACD/IUPAC Name]
N-(2-Bromophényl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
N-(2-Bromphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
CHEMBL380301
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL380301/
N-(2-bromophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

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

Density: 1.6±0.1 g/cm3
Boiling Point: 616.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.8±34.3 °C
Index of Refraction: 1.762
Molar Refractivity: 94.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 325.47
ACD/KOC (pH 5.5): 2186.71
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 326.17
ACD/KOC (pH 7.4): 2191.43
Polar Surface Area: 66 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 73.4±3.0 dyne/cm
Molar Volume: 229.1±3.0 cm3

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