Molecule ID: 9794588

IUPAC Name: 2-methyl-6-(2-phenylethynyl)pyridine;hydrochloride

Description: The molecule is a hydrochloride salt obtained by reaction of 2-methyl-6-(phenylethynyl)pyridine with one equivalent of hydrochloric acid. Potent and highly selective non-competitive antagonist at the mGlu5 receptor subtype (IC50 = 36 nM) and a positive allosteric modulator at mGlu4 receptors. Centrally active following systemic administration in vivo. Reverses mechanical hyperalgesia in the inflamed rat hind paw. It has a role as a metabotropic glutamate receptor antagonist and an anxiolytic drug. It contains a 2-methyl-6-(phenylethynyl)pyridinium(1+).

SMILES: Cc1cccc(C#Cc2ccccc2)n1.Cl

SELFIES: [C][C][=C][C][=C][C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C].[Cl]

InChI: InChI=1S/C14H11N.ClH/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13;/h2-9H,1H3;1H

Molecular Properties:
- Polar Surface Area: 12.9 Ų
- LogP: nan