5-chloranyl-6-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 5-chloranyl-6-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 5-chloro-6-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 5-chloro-6-(2-hydroxyethylthio)-3-pyridinecarboxylic acid IUPAC Name: 5-chloro-6-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 5-chloro-6-(2-hydroxyethylthio)nicotinic acid Formula: C8H8ClNO3S MolecularWeight: 233.67202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC(=C1Cl)SCCO)C(=O)O

Isomeric SMILES

C1=C(C=NC(=C1Cl)SCCO)C(=O)O

InChI

InChI=1S/C8H8ClNO3S/c9-6-3-5(8(12)13)4-10-7(6)14-2-1-11/h3-4,11H,1-2H2,(H,12,13)