Basic information
- Standard SMILES
COc1cncc(C#Cc2cccc(C#N)c2)c1- InChIKey
OLTQOCFQLHRAAE-UHFFFAOYSA-N- Molecular formula
- C15H10N2O
- Average molar mass
- 234.25 g/mol
Names & identifiers
- Preferred name
- 3-(5-Methoxypyridin-3-ylethynyl)-benzonitrile
- IUPAC
- 3-[2-(5-methoxy-3-pyridinyl)ethynyl]benzonitrile
Names & synonyms
SCHEMBL1477153OLTQOCFQLHRAAE-UHFFFAOYSA-N3-(5-Methoxypyridin-3-ylethynyl)-benzonitrile
Database identifiers
- PubChem CID
- 67047710
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 383
Related reactions
2 records
Compound notes
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