2-methyl-6-(2-phenylethynyl)pyridine

• ChemBase ID: 60199
• Molecular Formular: C14H11N
• Molecular Mass: 193.24384
• Monoisotopic Mass: 193.08914936
• SMILES: c1c(nc(cc1)C#Cc1ccccc1)C
• Canonical SMILES: Cc1cccc(n1)C#Cc1ccccc1
• InChI: InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
• InChIKey: NEWKHUASLBMWRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-6-(2-phenylethynyl)pyridine
• IUPAC Traditional name: MPEP
• Synonyms: MPEP; 2-Methyl-6-(phenylethynyl)pyridine

Database IDs

• CAS Number: 96206-92-7
• MDL Number: MFCD03787983
• PubChem SID: 162025940
• PubChem CID: 3025961

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3861864
• LogD (pH = 7.4): 3.3937657
• Log P: 3.3938632
• Molar Refractivity: 55.9572 cm^3
• Polarizability: 23.417192 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Pharmacology Properties

• Target: GluR

Product Information

• Salt Data: Free Base