ChemSpider 2D Image | 3-Chloro-5-[(1S)-1,2-dihydroxyethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3',6'-dihydro-2,4'-bipyridine-1'(2'H)-carboxamide | C19H18ClF3N4O3

3-Chloro-5-[(1S)-1,2-dihydroxyethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3',6'-dihydro-2,4'-bipyridine-1'(2'H)-carboxamide

  • Molecular FormulaC19H18ClF3N4O3
  • Average mass442.819 Da
  • Monoisotopic mass442.101959 Da
  • ChemSpider ID58789981

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[2,4'-Bipyridine]-1'(2'H)-carboxamide, 3-chloro-5-[(1S)-1,2-dihydroxyethyl]-3',6'-dihydro-N-[5-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
3-Chlor-5-[(1S)-1,2-dihydroxyethyl]-N-[5-(trifluormethyl)-2-pyridinyl]-3',6'-dihydro-2,4'-bipyridin-1'(2'H)-carboxamid [German] [ACD/IUPAC Name]
3-Chloro-5-[(1S)-1,2-dihydroxyethyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3',6'-dihydro-2,4'-bipyridine-1'(2'H)-carboxamide [ACD/IUPAC Name]
3-Chloro-5-[(1S)-1,2-dihydroxyéthyl]-N-[5-(trifluorométhyl)-2-pyridinyl]-3',6'-dihydro-2,4'-bipyridine-1'(2'H)-carboxamide [French] [ACD/IUPAC Name]
1073616-61-1 [RN]
4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
Unii-tbj73rqt8F
V116517
V-116517

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

Density: 1.5±0.1 g/cm3
Boiling Point: 679.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.6±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 103.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.11
ACD/KOC (pH 5.5): 141.57
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.15
ACD/KOC (pH 7.4): 142.24
Polar Surface Area: 99 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 292.1±3.0 cm3

Click to predict properties on the Chemicalize site


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