(2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-, diethyl ester, hydrochloride
Basic information
- CAS
23125-29-3- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccccn1.Cl- InChIKey
GTMOHOMEENZHGN-UHFFFAOYSA-N- Molecular formula
- C18H23ClN2O4
- Average molar mass
- 366.8 g/mol
- Monoisotopic mass
- 366.1346349
Names & identifiers
- Preferred name
- (2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-, diethyl ester, hydrochloride
- IUPAC
- diethyl 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate;hydrochloride
Names & synonyms
23125-29-32',4-(3,5-Dicarbethoxy-2,6-dimethyl-1,4-dihydro)dipyridine monohydrochloride(2,4'-Bipyridine)-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-, diethyl ester, hydrochlorideRefChem:205468DTXSID00945801Diethyl 2',6'-dimethyl-1',4'-dihydro[2,4'-bipyridine]-3',5'-dicarboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
23125-29-3- PubChem CID
- 211448
- DTXSID
DTXSID00945801
Properties
Computed structural properties
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 525
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Compound notes
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