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

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

  • Molecular FormulaC12H16ClN3O2
  • Average mass269.727 Da
  • Monoisotopic mass269.093109 Da
  • ChemSpider ID21402924

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

1053656-57-7 [RN]
2-Methyl-2-propanyl 4-chloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-chlor-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-carboxylat [German] [ACD/IUPAC Name]
4-Chloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 4-chloro-5,8-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-Butyl 4-chloro-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate
tert-butyl 4-chloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
(6-methoxy-2-methyl-3-pyridyl)boronic acid;6-Methoxy-2-methylpyridine-3-boronic Acid
[1053656-57-7] [RN]
4-chloro-5,8-dihydro-6H-pyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 395.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.6±3.0 kJ/mol
    Flash Point: 193.2±27.9 °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: 1.20
    ACD/LogD (pH 5.5): 2.22
    ACD/BCF (pH 5.5): 28.85
    ACD/KOC (pH 5.5): 386.17
    ACD/LogD (pH 7.4): 2.22
    ACD/BCF (pH 7.4): 28.85
    ACD/KOC (pH 7.4): 386.17
    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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