Dimethyl 2,6,6'-trimethyl-1,4-dihydro-2',4-bipyridine-3,5-dicarboxylate
Basic information
- CAS
380637-85-4- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(C)n1- InChIKey
VSLZORWYANYCHE-UHFFFAOYSA-N- Molecular formula
- C17H20N2O4
- Average molar mass
- 316.35 g/mol
- Monoisotopic mass
- 316.14230712
Names & identifiers
- Preferred name
- Dimethyl 2,6,6'-trimethyl-1,4-dihydro-2',4-bipyridine-3,5-dicarboxylate
- IUPAC
- dimethyl 2,6-dimethyl-4-(6-methyl-2-pyridinyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
Oprea1_029183SCHEMBL3034551AKOS024343155CCG-250122AE-641/11517292dimethyl 2,6,6'-trimethyl-1,4-dihydro-2',4-bipyridine-3,5-dicarboxylate6,2',6'-TRIMETHYL-1',4'-2H-(2,4')BIPYRIDINYL-3',5'-DICARBOXYLIC ACID DI-ME ESTER
Database identifiers
- CAS
380637-85-4- PubChem CID
- 2729699
- EC Number
- 159-605-4
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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