Molecule ID: 53493586

IUPAC Name: (4,5-dimethoxy-6-pyridin-2-ylpyridin-2-yl)methanol

Description: The molecule is a pyridine alkaloid that is 2,2'-bipyridine substituted at position 6 by a hydroxymethyl group and at positions 3 and 4 by methoxy groups respectively. 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 monohydroxypyridine and a pyridine alkaloid. It derives from a hydride of a 2,2'-bipyridine.

SMILES: COc1cc(CO)nc(-c2ccccn2)c1OC

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

InChI: InChI=1S/C13H14N2O3/c1-17-11-7-9(8-16)15-12(13(11)18-2)10-5-3-4-6-14-10/h3-7,16H,8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 64.5 Ų
- LogP: 0.6