ChemSpider 2D Image | 2-{[2-(1H-Indazol-5-ylamino)-4-pyrimidinyl]amino}benzoic acid | C18H14N6O2

2-{[2-(1H-Indazol-5-ylamino)-4-pyrimidinyl]amino}benzoic acid

  • Molecular FormulaC18H14N6O2
  • Average mass346.343 Da
  • Monoisotopic mass346.117828 Da
  • ChemSpider ID23287561

More details:

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

2-{[2-(1H-Indazol-5-ylamino)-4-pyrimidinyl]amino}benzoesäure [German] [ACD/IUPAC Name]
2-{[2-(1H-Indazol-5-ylamino)-4-pyrimidinyl]amino}benzoic acid [ACD/IUPAC Name]
2-{[2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino}benzoic acid
Acide 2-{[2-(1H-indazol-5-ylamino)-4-pyrimidinyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-(1H-indazol-5-ylamino)-4-pyrimidinyl]amino]- [ACD/Index Name]
2-(2-(1H-indazol-5-ylamino)pyrimidin-4-ylamino)benzoic acid
4-anilinopyrimidine 15b
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL396523/
Kinome_1199

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

Density: 1.5±0.1 g/cm3
Boiling Point: 684.7±63.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 367.9±33.7 °C
Index of Refraction: 1.820
Molar Refractivity: 98.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 7.63
ACD/KOC (pH 5.5): 35.87
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.22
ACD/KOC (pH 7.4): 5.71
Polar Surface Area: 116 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 92.8±3.0 dyne/cm
Molar Volume: 226.2±3.0 cm3

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