Chemical Properties of «alpha»-Pyridoin (CAS 1141-06-6)

InChI

InChI=1S/C12H10N2O2/c15-11(9-5-1-3-7-13-9)12(16)10-6-2-4-8-14-10/h1-8,11,15H

InChI Key

ZKBDAJDDDOIASC-UHFFFAOYSA-N

Formula

C12H10N2O2

SMILES

O=C(c1ccccn1)C(O)c1ccccn1

Molecular Weight¹

214.22

CAS

1141-06-6

Other Names

• Ethanone, 2-hydroxy-1,2-di-2-pyridinyl-
• Ketone, hydroxy-2-pyridylmethyl 2-pyridyl
• 2-hydroxy-1,2-di-2-pyridylethanone

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 «alpha»-Pyridoin.

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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