6-[6-(6-carboxypyridin-2-yl)-4-(2-phenylethynyl)pyridin-2-yl]pyridine-2-carboxylic acid

Systemtic Name: 6-[6-(6-carboxypyridin-2-yl)-4-(2-phenylethynyl)pyridin-2-yl]pyridine-2-carboxylic acid Openeye Name: 6-[6-(6-carboxy-2-pyridyl)-4-(2-phenylethynyl)-2-pyridyl]pyridine-2-carboxylic acid CAS Name: 6-[6-(6-carboxy-2-pyridinyl)-4-(2-phenylethynyl)-2-pyridinyl]-2-pyridinecarboxylic acid IUPAC Name: 6-[6-(6-carboxypyridin-2-yl)-4-(2-phenylethynyl)pyridin-2-yl]pyridine-2-carboxylic acid Traditional Name: 6-[6-(6-carboxy-2-pyridyl)-4-(2-phenylethynyl)-2-pyridyl]picolinic acid Formula: C25H15N3O4 MolecularWeight: 421.4043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=NC(=C2)C3=NC(=CC=C3)C(=O)O)C4=NC(=CC=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=NC(=C2)C3=NC(=CC=C3)C(=O)O)C4=NC(=CC=C4)C(=O)O

InChI

InChI=1S/C25H15N3O4/c29-24(30)20-10-4-8-18(26-20)22-14-17(13-12-16-6-2-1-3-7-16)15-23(28-22)19-9-5-11-21(27-19)25(31)32/h1-11,14-15H,(H,29,30)(H,31,32)