ChemSpider 2D Image | 2-[(2-Anilino-5-fluoro-4-pyrimidinyl)amino]benzoic acid | C17H13FN4O2

2-[(2-Anilino-5-fluoro-4-pyrimidinyl)amino]benzoic acid

  • Molecular FormulaC17H13FN4O2
  • Average mass324.309 Da
  • Monoisotopic mass324.102264 Da
  • ChemSpider ID23287565

More details:

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

2-[(2-Anilino-5-fluor-4-pyrimidinyl)amino]benzoesäure [German] [ACD/IUPAC Name]
2-[(2-Anilino-5-fluoro-4-pyrimidinyl)amino]benzoic acid [ACD/IUPAC Name]
2-{[5-fluoro-2-(phenylamino)pyrimidin-4-yl]amino}benzoic acid
Acide 2-[(2-anilino-5-fluoro-4-pyrimidinyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[5-fluoro-2-(phenylamino)-4-pyrimidinyl]amino]- [ACD/Index Name]
2-(5-fluoro-2-(phenylamino)pyrimidin-4-ylamino)benzoic acid
4-anilinopyrimidine 14a
929007-77-2 [RN]
Kinome_1261

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

Density: 1.4±0.1 g/cm3
Boiling Point: 533.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 276.6±32.9 °C
Index of Refraction: 1.713
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 16.56
ACD/KOC (pH 5.5): 68.96
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 6.13
Polar Surface Area: 87 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 224.7±3.0 cm3

Click to predict properties on the Chemicalize site


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