ChemSpider 2D Image | Methyl 4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-diisopropylnicotinate | C20H24FNO3

Methyl 4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-diisopropylnicotinate

  • Molecular FormulaC20H24FNO3
  • Average mass345.408 Da
  • Monoisotopic mass345.174011 Da
  • ChemSpider ID13614177

More details:

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

3-Pyridinecarboxylic acid, 4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-bis(1-methylethyl)-, methyl ester [ACD/Index Name]
4-(4-Fluorophényl)-5-(hydroxyméthyl)-2,6-diisopropylnicotinate de méthyle [French] [ACD/IUPAC Name]
methyl 4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-di(propan-2-yl)pyridine-3-carboxylate
Methyl 4-(4-fluorophenyl)-5-(hydroxymethyl)-2,6-diisopropylnicotinate [ACD/IUPAC Name]
Methyl-4-(4-fluorphenyl)-5-(hydroxymethyl)-2,6-diisopropylnicotinat [German] [ACD/IUPAC Name]
1032229-33-6 [RN]
202859-11-8 [RN]
4-(4-Fluorophenyl)-5-(hydroxymethyl)-2,6-bis(1-methylethyl)-3-pyridinecarboxylic acid methyl ester
4-(4-Fluoro-phenyl)-5-hydroxymethyl-2,6-diisopropyl-nicotinic acid methyl ester
CHEMBL140317
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 480.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 244.4±28.7 °C
Index of Refraction: 1.541
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 601.85
ACD/KOC (pH 5.5): 3383.18
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 610.75
ACD/KOC (pH 7.4): 3433.20
Polar Surface Area: 59 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 41.2±3.0 dyne/cm
Molar Volume: 304.0±3.0 cm3

Click to predict properties on the Chemicalize site


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