3-Pyridinecarboxylic acid, 4-ethyl-2,6-dimethyl-, 1,1-dimethylethyl ester
Basic information
- CAS
361480-08-2- Standard SMILES
CCc1cc(C)nc(C)c1C(=O)OC(C)(C)C- InChIKey
BVHGRIGHXYQOLH-UHFFFAOYSA-N- Molecular formula
- C14H21NO2
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.15722891
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 4-ethyl-2,6-dimethyl-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 4-ethyl-2,6-dimethylpyridine-3-carboxylate
Names & synonyms
361480-08-2DTXSID504630453-Pyridinecarboxylic acid, 4-ethyl-2,6-dimethyl-, 1,1-dimethylethyl esterRefChem:282279DTXCID10413864TERT-BUTYL 4-ETHYL-2,6-DIMETHYLPYRIDINE-3-CARBOXYLATE
Database identifiers
- CAS
361480-08-2- PubChem CID
- 11345367
- DTXSID
DTXSID50463045- Nikkaji
- J1.782.104K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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