5-chloranyl-6-[[(2S)-pentan-2-yl]amino]pyridine-3-carboxylate

Systemtic Name: 5-chloranyl-6-[[(2S)-pentan-2-yl]amino]pyridine-3-carboxylate Openeye Name: 5-chloro-6-[[(1S)-1-methylbutyl]amino]pyridine-3-carboxylate CAS Name: 5-chloro-6-[[(2S)-pentan-2-yl]amino]-3-pyridinecarboxylate IUPAC Name: 5-chloro-6-[[(2S)-pentan-2-yl]amino]pyridine-3-carboxylate Traditional Name: 5-chloro-6-[[(1S)-1-methylbutyl]amino]nicotinate Formula: C11H14ClN2O2- MolecularWeight: 241.69406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC1=C(C=C(C=N1)C(=O)[O-])Cl

Isomeric SMILES

CCC[C@H](C)NC1=C(C=C(C=N1)C(=O)[O-])Cl

InChI

InChI=1S/C11H15ClN2O2/c1-3-4-7(2)14-10-9(12)5-8(6-13-10)11(15)16/h5-7H,3-4H2,1-2H3,(H,13,14)(H,15,16)/p-1/t7-/m0/s1