ChemSpider 2D Image | tert-Butyl 2-chloro-5H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate | C12H16ClN3O2

tert-Butyl 2-chloro-5H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate

  • Molecular FormulaC12H16ClN3O2
  • Average mass269.727 Da
  • Monoisotopic mass269.093109 Da
  • ChemSpider ID22525038

More details:

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

1092352-55-0 [RN]
2-Chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-chlor-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-carboxylat [German] [ACD/IUPAC Name]
Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 2-chloro-7,8-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 2-chloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
tert-Butyl 2-chloro-5H,7H,8H-pyrido[4,3-d]pyrimidine-6-carboxylate
tert-Butyl 2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
[1092352-55-0] [RN]
109235-25-8 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 418.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.2±3.0 kJ/mol
    Flash Point: 206.9±28.7 °C
    Index of Refraction: 1.551
    Molar Refractivity: 67.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.09
    ACD/LogD (pH 5.5): 2.02
    ACD/BCF (pH 5.5): 20.10
    ACD/KOC (pH 5.5): 298.18
    ACD/LogD (pH 7.4): 2.02
    ACD/BCF (pH 7.4): 20.10
    ACD/KOC (pH 7.4): 298.18
    Polar Surface Area: 55 Å2
    Polarizability: 26.9±0.5 10-24cm3
    Surface Tension: 51.1±3.0 dyne/cm
    Molar Volume: 212.9±3.0 cm3

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