4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester
Basic information
- CAS
77985-05-8- Standard SMILES
CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1cc[n+](C)cc1.[I-]- InChIKey
FEWMJQGTQRDMBY-UHFFFAOYSA-M- Molecular formula
- C19H23IN2O4
- Average molar mass
- 470.3 g/mol
- Monoisotopic mass
- 470.07025
Names & identifiers
- Preferred name
- 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester
- IUPAC
- diethyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-4-yl)pyridine-3,5-dicarboxylate iodide
Names & synonyms
Pan-W-5077985-05-83',5'-Dicarboxy-1,2',6'-trimethyl-4,4'-bipyridinium iodide diethyl ester4,4'-BIPYRIDINIUM, 3',5'-DICARBOXY-1,2',6'-TRIMETHYL-, IODIDE, DIETHYL ESTERRefChem:284535DTXSID809992264-[3,5-Bis(ethoxycarbonyl)-2,6-dimethylpyridin-4-yl]-1-methylpyridin-1-ium iodide
Database identifiers
- CAS
77985-05-8- PubChem CID
- 54016
- DTXSID
DTXSID80999226
Properties
Computed structural properties
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 432
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Compound notes
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