Basic information
- Standard SMILES
COC(=O)c1cccc(-c2cc(C)nc(C)c2)c1- InChIKey
MOROTUNSYIQVSH-UHFFFAOYSA-N- Molecular formula
- C15H15NO2
- Average molar mass
- 241.28 g/mol
Names & identifiers
- Preferred name
- 3-(2,6-Dimethyl-pyridin-4-yl)-benzoic acid methyl ester
- IUPAC
- methyl 3-(2,6-dimethyl-4-pyridinyl)benzoate
Names & synonyms
SCHEMBL5557467MOROTUNSYIQVSH-UHFFFAOYSA-NDB-198489methyl 3-(2,6-dimethylpyridin-4-yl)benzoate3-(2,6-dimethyl-pyridin-4-yl)-benzoic acid methyl ester579476-75-8
Database identifiers
- PubChem CID
- 69486779
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Related reactions
1 records
Compound notes
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