ChemSpider 2D Image | 4-(2,4-Dichloro-5-methoxyphenyl)-2,6-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile | C16H12Cl2N4O

4-(2,4-Dichloro-5-methoxyphenyl)-2,6-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

  • Molecular FormulaC16H12Cl2N4O
  • Average mass347.199 Da
  • Monoisotopic mass346.038818 Da
  • ChemSpider ID26325546

More details:






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

4-(2,4-Dichlor-5-methoxyphenyl)-2,6-dimethyl-1H-pyrrolo[2,3-d]pyrimidin-5-carbonitril [German] [ACD/IUPAC Name]
4-(2,4-Dichloro-5-methoxyphenyl)-2,6-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [ACD/IUPAC Name]
4-(2,4-Dichloro-5-méthoxyphényl)-2,6-diméthyl-1H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [French] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-(2,4-dichloro-5-methoxyphenyl)-2,6-dimethyl- [ACD/Index Name]
3RR

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.676
Molar Refractivity: 88.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 645.35
ACD/KOC (pH 5.5): 3571.00
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 642.47
ACD/KOC (pH 7.4): 3555.04
Polar Surface Area: 75 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 234.9±5.0 cm3

Click to predict properties on the Chemicalize site






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