ChemSpider 2D Image | Methyl 4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)nicotinate | C21H26FNO3

Methyl 4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)nicotinate

  • Molecular FormulaC21H26FNO3
  • Average mass359.434 Da
  • Monoisotopic mass359.189667 Da
  • ChemSpider ID21588272

More details:

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

3-Pyridinecarboxylic acid, 4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-, methyl ester [ACD/Index Name]
4-(4-Fluorophényl)-2,6-diisopropyl-5-(méthoxyméthyl)nicotinate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)nicotinate [ACD/IUPAC Name]
Methyl-4-(4-fluorphenyl)-2,6-diisopropyl-5-(methoxymethyl)nicotinat [German] [ACD/IUPAC Name]
4-(4-Fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinecarboxylic acid methyl ester
887407-03-6 [RN]
Methyl 2,6-Diisopropyl-4-(4-fluorophenyl)-3-hydroxymethyl-5-methoxypyridine-3-carboxylate
methyl 4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridine-3-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 453.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.8±28.7 °C
Index of Refraction: 1.521
Molar Refractivity: 100.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5102.75
ACD/KOC (pH 5.5): 15631.47
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5170.09
ACD/KOC (pH 7.4): 15837.76
Polar Surface Area: 48 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 329.4±3.0 cm3

Click to predict properties on the Chemicalize site


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