Molecule ID: 13586798

IUPAC Name: 4-methoxy-6-pyridin-2-ylpyridine-2-carbonitrile

Description: The molecule is a pyridine alkaloid that is 2,2'-bipyridine-6-carbonitrile substituted by a methoxy group at position 4. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity. It has a role as an antineoplastic agent, a bacterial metabolite and a marine metabolite. It is an aromatic ether, a member of bipyridines, a pyridine alkaloid and a nitrile. It derives from a hydride of a 2,2'-bipyridine.

SMILES: COc1cc(C#N)nc(-c2ccccn2)c1

SELFIES: [C][O][C][=C][C][Branch1][Ring1][C][#N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=C]

InChI: InChI=1S/C12H9N3O/c1-16-10-6-9(8-13)15-12(7-10)11-4-2-3-5-14-11/h2-7H,1H3

Molecular Properties:
- Polar Surface Area: 58.8 Ų
- LogP: 1.5