ChemSpider 2D Image | GRN-529 | C22H15F2N3O2

GRN-529

  • Molecular FormulaC22H15F2N3O2
  • Average mass391.370 Da
  • Monoisotopic mass391.113220 Da
  • ChemSpider ID27471591

More details:






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

(4-(difluoromethoxy)-3-(pyridin-2-ylethynyl)phenyl)(5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)methanone
[4-(Difluormethoxy)-3-(2-pyridinylethinyl)phenyl](5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methanon [German] [ACD/IUPAC Name]
[4-(Difluoromethoxy)-3-(2-pyridinylethynyl)phenyl](5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)methanone [ACD/IUPAC Name]
[4-(Difluorométhoxy)-3-(2-pyridinyléthynyl)phényl](5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)méthanone [French] [ACD/IUPAC Name]
GRN-529 [Wiki]
Methanone, [4-(difluoromethoxy)-3-[2-(2-pyridinyl)ethynyl]phenyl](5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)- [ACD/Index Name]
[1253291-12-1]
1253291-12-1 [RN]
2-{2-[2-(difluoromethoxy)-5-({5H,6H,7H-pyrrolo[3,4-b]pyridin-6-yl}carbonyl)phenyl]ethynyl}pyridine
Methanone,[4-(difluoromethoxy)-3-[2-(2-pyridinyl)ethynyl]phenyl](5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 620.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.3±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 101.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 75.26
ACD/KOC (pH 5.5): 740.73
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.99
ACD/KOC (pH 7.4): 836.45
Polar Surface Area: 55 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 276.6±5.0 cm3

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