ChemSpider 2D Image | (E)-[4-(3,5-Difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol | C21H14F2N2O2

(E)-[4-(3,5-Difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol

  • Molecular FormulaC21H14F2N2O2
  • Average mass364.345 Da
  • Monoisotopic mass364.102325 Da
  • ChemSpider ID25057635

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-[4-(3,5-Difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol [ACD/IUPAC Name]
(E)-[4-(3,5-Difluorophényl)-3H-pyrrolo[2,3-b]pyridin-3-ylidène](3-méthoxyphényl)méthanol [French] [ACD/IUPAC Name]
(E)-[4-(3,5-Difluorphenyl)-3H-pyrrolo[2,3-b]pyridin-3-yliden](3-methoxyphenyl)methanol [German] [ACD/IUPAC Name]
Benzenemethanol, α-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene]-3-methoxy-, (αE)- [ACD/Index Name]
[(3E)-4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol
[(3E)-4-(3,5-difluorophenyl)pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 567.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 296.9±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 97.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.85
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 344.09
ACD/KOC (pH 5.5): 2147.83
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 45.85
ACD/KOC (pH 7.4): 286.21
Polar Surface Area: 55 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 274.6±7.0 cm3

Click to predict properties on the Chemicalize site


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