2-chloranyl-N-pyridin-4-yl-pyridine-3-carboxamide hydrate

Systemtic Name: 2-chloranyl-N-pyridin-4-yl-pyridine-3-carboxamide hydrate Openeye Name: 2-chloro-N-(4-pyridyl)pyridine-3-carboxamide hydrate CAS Name: 2-chloro-N-pyridin-4-yl-3-pyridinecarboxamide hydrate IUPAC Name: 2-chloro-N-pyridin-4-ylpyridine-3-carboxamide hydrate Traditional Name: 2-chloro-N-(4-pyridyl)nicotinamide hydrate Formula: C11H10ClN3O2 MolecularWeight: 251.669

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)Cl)C(=O)NC2=CC=NC=C2.O

Isomeric SMILES

C1=CC(=C(N=C1)Cl)C(=O)NC2=CC=NC=C2.O

InChI

InChI=1S/C11H8ClN3O.H2O/c12-10-9(2-1-5-14-10)11(16)15-8-3-6-13-7-4-8;/h1-7H,(H,13,15,16);1H2