Substance
- Substance Name: 2-(2-methyl-3-chloroanilino)nicotinic acid
- Formula: C13H11ClN2O2
- Molecular Weight: 262.69 g/mol
- Identifiers:
- 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)
- inchikey: CLOMYZFHNHFSIQ-UHFFFAOYSA-N
- casrn: 17737-65-4
- csmiles: CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O
- ismiles: CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O
- pubchemId: 28718
- iupacname: 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid
- wikidataId: Q5135028
- chemspiderId: 26711
- dsstoxcmpId: DTXCID0026121
- chemblId: CHEMBL1332971
- ecnumber: 241-730-1
2-(2-methyl-3-chloroanilino)nicotinic acid
Systems and Datasets
- 2-(2-methyl-3-chloroanilino)nicotinic acid (Datasets: 2)
- Dataset 1 in paper 10.1016/j.jct.2019.01.006 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 2 in paper 10.1016/j.jct.2019.01.006 (Dataseries: 1, Datapoints: 13, Quantity: Vapor pressure)
- 2-(2-methyl-3-chloroanilino)nicotinic acid + octan-1-ol (Datasets: 1)
- Dataset 5 in paper 10.1016/j.jct.2019.01.006 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- 2-(2-methyl-3-chloroanilino)nicotinic acid + hexane (Datasets: 1)
- Dataset 6 in paper 10.1016/j.jct.2019.01.006 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)