4-fluoranylphenol; 4-(4-fluoranylphenoxy)-2-pyridin-4-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-fluoranylphenol; 4-(4-fluoranylphenoxy)-2-pyridin-4-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-fluorophenol; 4-(4-fluorophenoxy)-2-(4-pyridyl)pyrimidine-5-carboxylic acid CAS Name: 4-fluorophenol; 4-(4-fluorophenoxy)-2-pyridin-4-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-fluorophenol; 4-(4-fluorophenoxy)-2-pyridin-4-ylpyrimidine-5-carboxylic acid Traditional Name: 4-fluorophenol; 4-(4-fluorophenoxy)-2-(4-pyridyl)pyrimidine-5-carboxylic acid Formula: C22H15F2N3O4 MolecularWeight: 423.369006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)F.C1=CC(=CC=C1OC2=NC(=NC=C2C(=O)O)C3=CC=NC=C3)F

Isomeric SMILES

C1=CC(=CC=C1O)F.C1=CC(=CC=C1OC2=NC(=NC=C2C(=O)O)C3=CC=NC=C3)F

InChI

InChI=1S/C16H10FN3O3.C6H5FO/c17-11-1-3-12(4-2-11)23-15-13(16(21)22)9-19-14(20-15)10-5-7-18-8-6-10;7-5-1-3-6(8)4-2-5/h1-9H,(H,21,22);1-4,8H