3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-propyl-, diethyl ester
Basic information
- CAS
70298-14-5- Standard SMILES
CCCc1c(C(=O)OCC)c(C)nc(C)c1C(=O)OCC- InChIKey
ZRYFDBNDGXKORS-UHFFFAOYSA-N- Molecular formula
- C16H23NO4
- Average molar mass
- 293.36 g/mol
- Monoisotopic mass
- 293.16270821
Names & identifiers
- Preferred name
- 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-propyl-, diethyl ester
- IUPAC
- diethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylate
Names & synonyms
DTXSID604531743,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-propyl-, diethyl ester70298-14-5RefChem:272167DTXCID20403993diethyl 2,6-dimethyl-4-propylpyridine-3,5-dicarboxylateSCHEMBL16851072diethyl 2,6-dimethyl-4-propyl-3,5-pyridinedicarboxylate
Database identifiers
- CAS
70298-14-5- PubChem CID
- 11044569
- DTXSID
DTXSID60453174- Nikkaji
- J439.731B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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