Basic information
- Standard SMILES
C#Cc1cc(C(=O)OC)cc(-c2ccc(C)cn2)c1- InChIKey
JLFYPMOLRODWEI-UHFFFAOYSA-N- Molecular formula
- C16H13NO2
- Average molar mass
- 251.28 g/mol
Names & identifiers
- Preferred name
- Methyl 3-ethynyl-5-(5-methylpyridin-2-yl)benzoate
- IUPAC
- methyl 3-ethynyl-5-(5-methyl-2-pyridinyl)benzoate
Names & synonyms
Methyl 3-ethynyl-5-(5-methylpyridin-2-yl)benzoateSCHEMBL3058047JLFYPMOLRODWEI-UHFFFAOYSA-NDB-1721071150262-91-1
Database identifiers
- PubChem CID
- 86646759
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 370
Related reactions
3 records
Compound notes
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