Chemical Properties of 7H-pyrrolo[2,3-d]pyrimidine, 4-chloro-7-cyclopentyl- (CAS 212268-44-5)

InChI

InChI=1S/C11H12ClN3/c12-10-9-5-6-15(8-3-1-2-4-8)11(9)14-7-13-10/h5-8H,1-4H2

InChI Key

ZQHBEEYPDFIIPH-UHFFFAOYSA-N

Formula

C11H12ClN3

SMILES

Clc1ncnc2c1ccn2C1CCCC1

Molecular Weight¹

221.69

CAS

212268-44-5

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 7H-pyrrolo[2,3-d]pyrimidine, 4-chloro-7-cyclopentyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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