Basic information
- Standard SMILES
CCCc1cc(C(=O)OCC)cc(C)n1- InChIKey
RXXZLRRUVXTECO-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
Names & identifiers
- Preferred name
- 2-Propyl-6-methylisonicotinic acid ethyl ester
- IUPAC
- ethyl 2-methyl-6-propylpyridine-4-carboxylate
Names & synonyms
SCHEMBL1179463RXXZLRRUVXTECO-UHFFFAOYSA-N2-propyl-6-methylisonicotinic acid ethyl ester
Database identifiers
- PubChem CID
- 66933558
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Related reactions
5 records
Compound notes
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