6-[1-(5-fluoranylpyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]pyridine-3-carboxylic acid

Systemtic Name: 6-[1-(5-fluoranylpyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]pyridine-3-carboxylic acid Openeye Name: 6-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)-3-piperidyl]pyridine-3-carboxylic acid CAS Name: 6-[1-(5-fluoro-2-pyrimidinyl)-3-(3-hydroxyphenyl)-3-piperidinyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)piperidin-3-yl]pyridine-3-carboxylic acid Traditional Name: 6-[1-(5-fluoropyrimidin-2-yl)-3-(3-hydroxyphenyl)-3-piperidyl]nicotinic acid Formula: C21H19FN4O3 MolecularWeight: 394.398963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C(C=N2)F)(C3=CC(=CC=C3)O)C4=NC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C2=NC=C(C=N2)F)(C3=CC(=CC=C3)O)C4=NC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H19FN4O3/c22-16-11-24-20(25-12-16)26-8-2-7-21(13-26,15-3-1-4-17(27)9-15)18-6-5-14(10-23-18)19(28)29/h1,3-6,9-12,27H,2,7-8,13H2,(H,28,29)