3-[5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluoranyl-phenyl]pyridine-4-carboxamide

Systemtic Name: 3-[5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluoranyl-phenyl]pyridine-4-carboxamide Openeye Name: 3-[5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluoro-phenyl]pyridine-4-carboxamide CAS Name: 3-[5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorophenyl]-4-pyridinecarboxamide IUPAC Name: 3-[5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluorophenyl]pyridine-4-carboxamide Traditional Name: 3-[5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-fluoro-phenyl]isonicotinamide Formula: C17H18BFN2O3 MolecularWeight: 328.145823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)(C)C)C2=CC(=C(C=C2)F)C3=C(C=CN=C3)C(=O)N

Isomeric SMILES

B1(OCC(CO1)(C)C)C2=CC(=C(C=C2)F)C3=C(C=CN=C3)C(=O)N

InChI

InChI=1S/C17H18BFN2O3/c1-17(2)9-23-18(24-10-17)11-3-4-15(19)13(7-11)14-8-21-6-5-12(14)16(20)22/h3-8H,9-10H2,1-2H3,(H2,20,22)