ChemSpider 2D Image | 2-{4-fluoro-2-[(2R,5R)-5-{[(5-fluoropyridin-2-yl)oxy]methyl}-2-methylpiperidine-1-carbonyl]phenyl}pyrimidine | C23H22F2N4O2

2-{4-fluoro-2-[(2R,5R)-5-{[(5-fluoropyridin-2-yl)oxy]methyl}-2-methylpiperidine-1-carbonyl]phenyl}pyrimidine

  • Molecular FormulaC23H22F2N4O2
  • Average mass424.443 Da
  • Monoisotopic mass424.171082 Da
  • ChemSpider ID34955779

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2R,5R)-5-{[(5-Fluor-2-pyridinyl)oxy]methyl}-2-methyl-1-piperidinyl][5-fluor-2-(2-pyrimidinyl)phenyl]methanon [German] [ACD/IUPAC Name]
[(2R,5R)-5-{[(5-Fluoro-2-pyridinyl)oxy]methyl}-2-methyl-1-piperidinyl][5-fluoro-2-(2-pyrimidinyl)phenyl]methanone [ACD/IUPAC Name]
[(2R,5R)-5-{[(5-Fluoro-2-pyridinyl)oxy]méthyl}-2-méthyl-1-pipéridinyl][5-fluoro-2-(2-pyrimidinyl)phényl]méthanone [French] [ACD/IUPAC Name]
1088991-95-0 [RN]
2-{4-fluoro-2-[(2R,5R)-5-{[(5-fluoropyridin-2-yl)oxy]methyl}-2-methylpiperidine-1-carbonyl]phenyl}pyrimidine
Methanone, [(2R,5R)-5-[[(5-fluoro-2-pyridinyl)oxy]methyl]-2-methyl-1-piperidinyl][5-fluoro-2-(2-pyrimidinyl)phenyl]- [ACD/Index Name]
[(2R,5R)-5-[(5-Fluoropyridin-2-yl)oxymethyl]-2-methylpiperidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
DORA-22
US8569311, 79

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

Density: 1.3±0.1 g/cm3
Boiling Point: 524.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.9±30.1 °C
Index of Refraction: 1.571
Molar Refractivity: 110.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.34
ACD/KOC (pH 5.5): 654.90
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.35
ACD/KOC (pH 7.4): 654.98
Polar Surface Area: 68 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 337.4±3.0 cm3

Click to predict properties on the Chemicalize site


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