ChemSpider 2D Image | 2-({5-Fluoro-2-[(3-hydroxyphenyl)amino]-4-pyrimidinyl}amino)benzoic acid | C17H13FN4O3

2-({5-Fluoro-2-[(3-hydroxyphenyl)amino]-4-pyrimidinyl}amino)benzoic acid

  • Molecular FormulaC17H13FN4O3
  • Average mass340.309 Da
  • Monoisotopic mass340.097168 Da
  • ChemSpider ID23287566

More details:

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

2-({5-Fluor-2-[(3-hydroxyphenyl)amino]-4-pyrimidinyl}amino)benzoesäure [German] [ACD/IUPAC Name]
2-({5-Fluoro-2-[(3-hydroxyphenyl)amino]-4-pyrimidinyl}amino)benzoic acid [ACD/IUPAC Name]
2-({5-fluoro-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid
Acide 2-({5-fluoro-2-[(3-hydroxyphényl)amino]-4-pyrimidinyl}amino)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[5-fluoro-2-[(3-hydroxyphenyl)amino]-4-pyrimidinyl]amino]- [ACD/Index Name]
2-(5-fluoro-2-(3-hydroxyphenylamino)pyrimidin-4-ylamino)benzoic acid
4-anilinopyrimidine 14b
Kinome_1253

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

Density: 1.5±0.1 g/cm3
Boiling Point: 586.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 308.7±32.9 °C
Index of Refraction: 1.740
Molar Refractivity: 90.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 9.25
ACD/KOC (pH 5.5): 46.39
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.84
Polar Surface Area: 107 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 223.1±3.0 cm3

Click to predict properties on the Chemicalize site


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