ChemSpider 2D Image | 6-[2-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)benzyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one | C18H15FN4O

6-[2-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)benzyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

  • Molecular FormulaC18H15FN4O
  • Average mass322.336 Da
  • Monoisotopic mass322.122986 Da
  • ChemSpider ID58881164

More details:

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

5H-Pyrrolo[3,4-b]pyridin-5-one, 6-[[2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl]-6,7-dihydro- [ACD/Index Name]
6-[2-Fluor-4-(1-methyl-1H-pyrazol-4-yl)benzyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-on [German] [ACD/IUPAC Name]
6-[2-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)benzyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one [ACD/IUPAC Name]
6-[2-Fluoro-4-(1-méthyl-1H-pyrazol-4-yl)benzyl]-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one [French] [ACD/IUPAC Name]
1432436-13-9 [RN]
6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71555066
VU0453595
VU453595

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

Density: 1.4±0.1 g/cm3
Boiling Point: 552.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 288.1±30.1 °C
Index of Refraction: 1.677
Molar Refractivity: 89.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.79
ACD/KOC (pH 5.5): 215.52
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.83
ACD/KOC (pH 7.4): 216.18
Polar Surface Area: 51 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 238.6±7.0 cm3

Click to predict properties on the Chemicalize site


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