ChemSpider 2D Image | 6-(tert-butylamino)-4-[(3-chloro-4-fluorophenyl)amino]-1,7-naphthyridine-3-carbonitrile | C19H17ClFN5

6-(tert-butylamino)-4-[(3-chloro-4-fluorophenyl)amino]-1,7-naphthyridine-3-carbonitrile

  • Molecular FormulaC19H17ClFN5
  • Average mass369.823 Da
  • Monoisotopic mass369.115662 Da
  • ChemSpider ID23298445

More details:

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

1,7-Naphthyridine-3-carbonitrile, 4-[(3-chloro-4-fluorophenyl)amino]-6-[(1,1-dimethylethyl)amino]- [ACD/Index Name]
4-[(3-Chlor-4-fluorphenyl)amino]-6-[(2-methyl-2-propanyl)amino]-1,7-naphthyridin-3-carbonitril [German] [ACD/IUPAC Name]
4-[(3-Chloro-4-fluorophenyl)amino]-6-[(2-methyl-2-propanyl)amino]-1,7-naphthyridine-3-carbonitrile [ACD/IUPAC Name]
4-[(3-Chloro-4-fluorophényl)amino]-6-[(2-méthyl-2-propanyl)amino]-1,7-naphtyridine-3-carbonitrile [French] [ACD/IUPAC Name]
6-(tert-butylamino)-4-[(3-chloro-4-fluorophenyl)amino]-1,7-naphthyridine-3-carbonitrile
6-tert-butylamino-4-(3-chloro-4-fluorophenylamino)-[1,7]naphthyridine-3-carbonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 532.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 275.6±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 99.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3077.04
ACD/KOC (pH 5.5): 10840.04
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3161.09
ACD/KOC (pH 7.4): 11136.16
Polar Surface Area: 74 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 275.2±5.0 cm3

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