ChemSpider 2D Image | (2R,3R)-3-{[5-Fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]amino}bicyclo[2.2.2]octane-2-carboxylic acid | C20H19F2N5O2

(2R,3R)-3-{[5-Fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]amino}bicyclo[2.2.2]octane-2-carboxylic acid

  • Molecular FormulaC20H19F2N5O2
  • Average mass399.394 Da
  • Monoisotopic mass399.150696 Da
  • ChemSpider ID114391457

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2R,3R)-3-{[5-Fluor-2-(5-fluor-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]amino}bicyclo[2.2.2]octan-2-carbonsäure [German] [ACD/IUPAC Name]
(2R,3R)-3-{[5-Fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]amino}bicyclo[2.2.2]octane-2-carboxylic acid [ACD/IUPAC Name]
Acide (2R,3R)-3-{[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]amino}bicyclo[2.2.2]octane-2-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[2.2.2]octane-2-carboxylic acid, 3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-pyrimidinyl]amino]-, (2R,3R)- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.688
Molar Refractivity: 101.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 3.25
ACD/KOC (pH 5.5): 34.89
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 76.8±3.0 dyne/cm
Molar Volume: 266.0±3.0 cm3

Click to predict properties on the Chemicalize site


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