ChemSpider 2D Image | 6-({(S)-(3-Fluoro-2-pyridinyl)[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}carbamoyl)nicotinic acid | C20H12F5N3O4

6-({(S)-(3-Fluoro-2-pyridinyl)[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}carbamoyl)nicotinic acid

  • Molecular FormulaC20H12F5N3O4
  • Average mass453.319 Da
  • Monoisotopic mass453.074799 Da
  • ChemSpider ID72380128

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1416799-28-4 [RN]
3-Pyridinecarboxylic acid, 6-[[[(S)-(3-fluoro-2-pyridinyl)[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]amino]carbonyl]- [ACD/Index Name]
6-({(S)-(3-Fluor-2-pyridinyl)[3-fluor-4-(trifluormethoxy)phenyl]methyl}carbamoyl)nicotinsäure [German] [ACD/IUPAC Name]
6-({(S)-(3-Fluoro-2-pyridinyl)[3-fluoro-4-(trifluoromethoxy)phenyl]methyl}carbamoyl)nicotinic acid [ACD/IUPAC Name]
6-{[(S)-[3-fluoro-4-(trifluoromethoxy)phenyl](3-fluoropyridin-2-yl)methyl]carbamoyl}pyridine-3-carboxylic acid
Acide 6-({(S)-(3-fluoro-2-pyridinyl)[3-fluoro-4-(trifluorométhoxy)phényl]méthyl}carbamoyl)nicotinique [French] [ACD/IUPAC Name]
(S)-6-(((3-Fluoro-4-(trifluoromethoxy)phenyl)(3-fluoropyridin-2-yl)methyl)carbamoyl)nicotinic acid
AMG 333
AMG-333
BS-15357
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  • Experimental Physico-chemical Properties

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

Density: 1.5±0.1 g/cm3
Boiling Point: 601.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 317.6±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 99.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.66
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.08
Polar Surface Area: 101 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 302.1±3.0 cm3

Click to predict properties on the Chemicalize site


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