ChemSpider 2D Image | 3-Chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2'-[2-(2-hydroxy-2-propanyl)-4-pyrimidinyl]-5',6-dimethyl-2H-1,4'-bipyridin-2-one | C25H22ClF2N5O3

3-Chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2'-[2-(2-hydroxy-2-propanyl)-4-pyrimidinyl]-5',6-dimethyl-2H-1,4'-bipyridin-2-one

  • Molecular FormulaC25H22ClF2N5O3
  • Average mass513.924 Da
  • Monoisotopic mass513.137939 Da
  • ChemSpider ID58947940

More details:

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

[1(2H),4'-Bipyridin]-2-one, 3-chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2'-[2-(1-hydroxy-1-methylethyl)-4-pyrimidinyl]-5',6-dimethyl- [ACD/Index Name]
3-Chlor-4-[(3,5-difluor-2-pyridinyl)methoxy]-2'-[2-(2-hydroxy-2-propanyl)-4-pyrimidinyl]-5',6-dimethyl-2H-1,4'-bipyridin-2-on [German] [ACD/IUPAC Name]
3-Chloro-4-[(3,5-difluoro-2-pyridinyl)methoxy]-2'-[2-(2-hydroxy-2-propanyl)-4-pyrimidinyl]-5',6-dimethyl-2H-1,4'-bipyridin-2-one [ACD/IUPAC Name]
3-Chloro-4-[(3,5-difluoro-2-pyridinyl)méthoxy]-2'-[2-(2-hydroxy-2-propanyl)-4-pyrimidinyl]-5',6-diméthyl-2H-1,4'-bipyridin-2-one [French] [ACD/IUPAC Name]
1639791-42-6 [RN]
1640282-42-3 [RN]
3-chloro-4-[(3,5-difluoropyridin-2-yl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methylpyridin-4-yl]-6-methylpyridin-2-one
Zunsemetinib

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

Density: 1.5±0.1 g/cm3
Boiling Point: 680.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 365.3±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 127.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.52
ACD/KOC (pH 5.5): 281.20
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.52
ACD/KOC (pH 7.4): 281.23
Polar Surface Area: 101 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 353.2±5.0 cm3

Click to predict properties on the Chemicalize site


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