ChemSpider 2D Image | 2-Methyl-2-propanyl (2S)-4-iodo-2-isopropyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate | C15H21IN2O2

2-Methyl-2-propanyl (2S)-4-iodo-2-isopropyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

  • Molecular FormulaC15H21IN2O2
  • Average mass388.244 Da
  • Monoisotopic mass388.064758 Da
  • ChemSpider ID72380244

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-Iodo-2-isopropyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 2,3-dihydro-4-iodo-2-(1-methylethyl)-, 1,1-dimethylethyl ester, (2S)- [ACD/Index Name]
2-Methyl-2-propanyl (2S)-4-iodo-2-isopropyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2S)-4-iod-2-isopropyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-1-carboxylat [German] [ACD/IUPAC Name]
2366997-14-8 [RN]
MFCD32200794
tert-Butyl (2S)-4-iodo-2-isopropyl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate
tert-Butyl(2S)-4-iodo-2-isopropyl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 425.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 211.1±28.7 °C
Index of Refraction: 1.573
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1083.48
ACD/KOC (pH 5.5): 5149.79
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1102.12
ACD/KOC (pH 7.4): 5238.43
Polar Surface Area: 42 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 264.2±3.0 cm3

Click to predict properties on the Chemicalize site


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