pyridine-3-carbonitrile; pyridine-3-carboxylic acid

Systemtic Name: pyridine-3-carbonitrile; pyridine-3-carboxylic acid Openeye Name: nicotinic acid; pyridine-3-carbonitrile CAS Name: 3-pyridinecarbonitrile; 3-pyridinecarboxylic acid IUPAC Name: pyridine-3-carbonitrile; pyridine-3-carboxylic acid Traditional Name: nicotinic acid; nicotinonitrile Formula: C12H9N3O2 MolecularWeight: 227.21876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C#N.C1=CC(=CN=C1)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C#N.C1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C6H4N2.C6H5NO2/c7-4-6-2-1-3-8-5-6;8-6(9)5-2-1-3-7-4-5/h1-3,5H;1-4H,(H,8,9)