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Search term: AJLPROLDTQRMOM-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 3-Amino-5-[3-chloro-1-(3-pyridinylmethyl)-1H-indol-6-yl]-1H-pyrazole-4-carbonitrile | C18H13ClN6

3-Amino-5-[3-chloro-1-(3-pyridinylmethyl)-1H-indol-6-yl]-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC18H13ClN6
  • Average mass348.789 Da
  • Monoisotopic mass348.089020 Da
  • ChemSpider ID127414481

More details:

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

1H-Pyrazole-4-carbonitrile, 3-amino-5-[3-chloro-1-(3-pyridinylmethyl)-1H-indol-6-yl]- [ACD/Index Name]
3-Amino-5-[3-chlor-1-(3-pyridinylmethyl)-1H-indol-6-yl]-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
3-Amino-5-[3-chloro-1-(3-pyridinylmethyl)-1H-indol-6-yl]-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
3-Amino-5-[3-chloro-1-(3-pyridinylméthyl)-1H-indol-6-yl]-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 763.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.4±32.9 °C
Index of Refraction: 1.757
Molar Refractivity: 96.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 102.65
ACD/KOC (pH 5.5): 871.93
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 141.82
ACD/KOC (pH 7.4): 1204.60
Polar Surface Area: 96 Å2
Polarizability: 38.4±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 236.0±7.0 cm3

Click to predict properties on the Chemicalize site


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