3-[(2-chloranyl-5-fluoranyl-phenyl)methyl]pyridine-4-carboxylic acid

Systemtic Name: 3-[(2-chloranyl-5-fluoranyl-phenyl)methyl]pyridine-4-carboxylic acid Openeye Name: 3-[(2-chloro-5-fluoro-phenyl)methyl]pyridine-4-carboxylic acid CAS Name: 3-[(2-chloro-5-fluorophenyl)methyl]-4-pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-5-fluorophenyl)methyl]pyridine-4-carboxylic acid Traditional Name: 3-(2-chloro-5-fluoro-benzyl)isonicotinic acid Formula: C13H9ClFNO2 MolecularWeight: 265.667463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)CC2=C(C=CN=C2)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1F)CC2=C(C=CN=C2)C(=O)O)Cl

InChI

InChI=1S/C13H9ClFNO2/c14-12-2-1-10(15)6-8(12)5-9-7-16-4-3-11(9)13(17)18/h1-4,6-7H,5H2,(H,17,18)