ChemSpider 2D Image | 3-[(2S)-2,3-Dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione | C17H15F2IN4O4

3-[(2S)-2,3-Dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione

  • Molecular FormulaC17H15F2IN4O4
  • Average mass504.227 Da
  • Monoisotopic mass504.010590 Da
  • ChemSpider ID26383789

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(2S)-2,3-Dihydroxypropyl]-6-fluor-5-[(2-fluor-4-iodphenyl)amino]-8-methylpyrido[2,3-d]pyrimidin-4,7(3H,8H)-dion [German] [ACD/IUPAC Name]
3-[(2S)-2,3-Dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione [ACD/IUPAC Name]
3-[(2S)-2,3-Dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophényl)amino]-8-méthylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione [French] [ACD/IUPAC Name]
Pyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione, 3-[(2S)-2,3-dihydroxypropyl]-6-fluoro-5-[(2-fluoro-4-iodophenyl)amino]-8-methyl- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 530.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 274.6±32.9 °C
Index of Refraction: 1.710
Molar Refractivity: 102.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.58
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.58
Polar Surface Area: 105 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 263.3±7.0 cm3

Click to predict properties on the Chemicalize site


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