6-(hexylamino)pyridine-3-carboxylic acid

Systemtic Name: 6-(hexylamino)pyridine-3-carboxylic acid Openeye Name: 6-(hexylamino)pyridine-3-carboxylic acid CAS Name: 6-(hexylamino)-3-pyridinecarboxylic acid IUPAC Name: 6-(hexylamino)pyridine-3-carboxylic acid Traditional Name: 6-(hexylamino)nicotinic acid Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC=C(C=C1)C(=O)O

Isomeric SMILES

CCCCCCNC1=NC=C(C=C1)C(=O)O

InChI

InChI=1S/C12H18N2O2/c1-2-3-4-5-8-13-11-7-6-10(9-14-11)12(15)16/h6-7,9H,2-5,8H2,1H3,(H,13,14)(H,15,16)