Chemical Properties of 2,6-Dihydroxyisonicotinic acid (CAS 99-11-6)

InChI

InChI=1S/C6H5NO4/c8-4-1-3(6(10)11)2-5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)

InChI Key

CSGQJHQYWJLPKY-UHFFFAOYSA-N

Formula

C6H5NO4

SMILES

O=C(O)c1cc(O)nc(O)c1

Molecular Weight¹

155.11

CAS

99-11-6

Other Names

• Citrazinic acid
• 4-Pyridinecarboxylic acid, 1,2-dihydro-6-hydroxy-2-oxo-
• Isonicotinic acid, 2,6-dihydroxy-
• 2,6-Dihydroxy-4-carboxypyridine
• 2,6-Dihydroxy-4-pyridinecarboxylic acid
• 4-Pyridinecarboxylic acid, 2,6-dihydroxy-
• Kyselina citrazinova

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 2,6-Dihydroxyisonicotinic acid.

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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