5-chloranyl-6-(4-methylpentan-2-ylamino)pyridine-3-carboxylic acid

Systemtic Name: 5-chloranyl-6-(4-methylpentan-2-ylamino)pyridine-3-carboxylic acid Openeye Name: 5-chloro-6-(1,3-dimethylbutylamino)pyridine-3-carboxylic acid CAS Name: 5-chloro-6-(4-methylpentan-2-ylamino)-3-pyridinecarboxylic acid IUPAC Name: 5-chloro-6-(4-methylpentan-2-ylamino)pyridine-3-carboxylic acid Traditional Name: 5-chloro-6-(1,3-dimethylbutylamino)nicotinic acid Formula: C12H17ClN2O2 MolecularWeight: 256.72858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=C(C=C(C=N1)C(=O)O)Cl

Isomeric SMILES

CC(C)CC(C)NC1=C(C=C(C=N1)C(=O)O)Cl

InChI

InChI=1S/C12H17ClN2O2/c1-7(2)4-8(3)15-11-10(13)5-9(6-14-11)12(16)17/h5-8H,4H2,1-3H3,(H,14,15)(H,16,17)