ChemSpider 2D Image | 2-{(E)-2-[4-Chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]vinyl}-6-fluoro-3-methylquinoxaline | C19H17ClFN5

2-{(E)-2-[4-Chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]vinyl}-6-fluoro-3-methylquinoxaline

  • Molecular FormulaC19H17ClFN5
  • Average mass369.823 Da
  • Monoisotopic mass369.115662 Da
  • ChemSpider ID74121771

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{(E)-2-[4-Chlor-6-(1-pyrrolidinyl)-2-pyrimidinyl]vinyl}-6-fluor-3-methylchinoxalin [German] [ACD/IUPAC Name]
2-{(E)-2-[4-Chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]vinyl}-6-fluoro-3-methylquinoxaline [ACD/IUPAC Name]
2-{(E)-2-[4-Chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]vinyl}-6-fluoro-3-méthylquinoxaline [French] [ACD/IUPAC Name]
Quinoxaline, 2-[(E)-2-[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]ethenyl]-6-fluoro-3-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 446.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 223.7±28.7 °C
Index of Refraction: 1.706
Molar Refractivity: 103.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 245.69
ACD/KOC (pH 5.5): 1789.14
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 245.69
ACD/KOC (pH 7.4): 1789.16
Polar Surface Area: 55 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 69.7±3.0 dyne/cm
Molar Volume: 266.6±3.0 cm3

Click to predict properties on the Chemicalize site


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