Chemical Properties of 2-(2-methyl-3-chloroanilino)nicotinic acid

InChI

InChI=1S/C13H11ClN2O2/c1-8-10(14)5-2-6-11(8)16-12-9(13(17)18)4-3-7-15-12/h2-7H,1H3,(H,15,16)(H,17,18)

InChI Key

CLOMYZFHNHFSIQ-UHFFFAOYSA-N

Formula

C13H11ClN2O2

SMILES

Cc1c(Cl)cccc1Nc1ncccc1C(=O)O

Molecular Weight¹

262.70

Other Names

• 2-((3-chloro-2-methylphenyl)amino)nicotinic acid
• clonixic acid

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• P_sub : Sublimation pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Psub	[7.53e-04; 3.74e-03]	kPa	[419.15; 443.15]
Psub	7.53e-04	kPa	419.15	A thermodynamic study of sublimation, dissolution and distribution processes of anti-inflammatory drug Clonixin
Psub	8.67e-04	kPa	421.15	A thermodynamic study of sublimation, dissolution and distribution processes of anti-inflammatory drug Clonixin
Psub	9.66e-04	kPa	423.15	A thermodynamic study of sublimation, dissolution and distribution processes of anti-inflammatory drug Clonixin
Psub	1.12e-03	kPa	425.15	A thermodynamic study of sublimation, dissolution and distribution processes of anti-inflammatory drug Clonixin
Psub	1.29e-03	kPa	427.15	A thermodynamic study of sublimation, dissolution and distribution processes of anti-inflammatory drug Clonixin
Psub	1.47e-03	kPa	429.15	A thermodynamic study of sublimation, dissolution and distribution processes of anti-inflammatory drug Clonixin
Psub	1.69e-03	kPa	431.15	A thermodynamic study of sublimation, dissolution and distribution processes of anti-inflammatory drug Clonixin
Psub	1.93e-03	kPa	433.15	A thermodynamic study of sublimation, dissolution and distribution processes of anti-inflammatory drug Clonixin
Psub	2.21e-03	kPa	435.15	A thermodynamic study of sublimation, dissolution and distribution processes of anti-inflammatory drug Clonixin
Psub	2.48e-03	kPa	437.15	A thermodynamic study of sublimation, dissolution and distribution processes of anti-inflammatory drug Clonixin
Psub	2.88e-03	kPa	439.15	A thermodynamic study of sublimation, dissolution and distribution processes of anti-inflammatory drug Clonixin
Psub	3.18e-03	kPa	441.15	A thermodynamic study of sublimation, dissolution and distribution processes of anti-inflammatory drug Clonixin
Psub	3.74e-03	kPa	443.15	A thermodynamic study of sublimation, dissolution and distribution processes of anti-inflammatory drug Clonixin

Similar Compounds

Find more compounds similar to 2-(2-methyl-3-chloroanilino)nicotinic 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
• A thermodynamic study of sublimation, dissolution and distribution processes of anti-inflammatory drug Clonixin
• McGowan Method

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.