ChemSpider 2D Image | 2-[(3S,4S)-3-Amino-4-hydroxy-1-pyrrolidinyl]-N-{4-[chloro(difluoro)methoxy]phenyl}-5'-fluoro-3,3'-bipyridine-5-carboxamide | C22H19ClF3N5O3

2-[(3S,4S)-3-Amino-4-hydroxy-1-pyrrolidinyl]-N-{4-[chloro(difluoro)methoxy]phenyl}-5'-fluoro-3,3'-bipyridine-5-carboxamide

  • Molecular FormulaC22H19ClF3N5O3
  • Average mass493.866 Da
  • Monoisotopic mass493.112854 Da
  • ChemSpider ID76823096

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[3,3'-Bipyridine]-5-carboxamide, 2-[(3S,4S)-3-amino-4-hydroxy-1-pyrrolidinyl]-N-[4-(chlorodifluoromethoxy)phenyl]-5'-fluoro- [ACD/Index Name]
2-[(3S,4S)-3-Amino-4-hydroxy-1-pyrrolidinyl]-N-{4-[chlor(difluor)methoxy]phenyl}-5'-fluor-3,3'-bipyridin-5-carboxamid [German] [ACD/IUPAC Name]
2-[(3S,4S)-3-Amino-4-hydroxy-1-pyrrolidinyl]-N-{4-[chloro(difluoro)methoxy]phenyl}-5'-fluoro-3,3'-bipyridine-5-carboxamide [ACD/IUPAC Name]
2-[(3S,4S)-3-Amino-4-hydroxy-1-pyrrolidinyl]-N-{4-[chloro(difluoro)méthoxy]phényl}-5'-fluoro-3,3'-bipyridine-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 607.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.9±3.0 kJ/mol
Flash Point: 321.0±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 118.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 1.97
ACD/KOC (pH 7.4): 40.00
Polar Surface Area: 114 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 329.7±3.0 cm3

Click to predict properties on the Chemicalize site


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