Basic information
- CAS
23125-32-8- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccn1- InChIKey
DJCQWHDYLUBTRW-UHFFFAOYSA-N- Molecular formula
- C16H18N2O4
- Average molar mass
- 302.32 g/mol
- Monoisotopic mass
- 302.12665706
Names & identifiers
- Preferred name
- Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-pyridyl)pyridine-3,5-dicarboxylate
- IUPAC
- dimethyl 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- [2,4'-Bipyridine]-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-, 3',5'-dimethyl ester
- Molecular formula
- C16H18N2O4
- Molecular weight
- 302.33
Names & synonyms
dimethyl 2',6'-dimethyl-1',4'-dihydro-2,4'-bipyridine-3',5'-dicarboxylateMLS000062419Oprea1_732107CHEMBL83049SCHEMBL7160171DJCQWHDYLUBTRW-UHFFFAOYSA-NHMS2506N21GEO-03602AKOS002250380SMR000073118ST50561524SR-01000264495
Show more names
dimethyl 2,6-dimethyl-4-(2-pyridyl)-1,4-dihydro-3,5-pyridinedicarboxylatedimethyl 2,6-dimethyl-4-pyridin-2-yl-1,4-dihydropyridine-3,5-dicarboxylate3,5-dimethyl 2,6-dimethyl-4-(pyridin-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate3',5'-dimethyl 2',6'-dimethyl-1',4'-dihydro-[2,4'-bipyridine]-3',5'-dicarboxylate[2,4'-Bipyridine]-3',5'-dicarboxylic acid, 1',4'-dihydro-2',6'-dimethyl-, 3',5'-dimethyl ester
SR-01000264495-1Dimethyl 1,4-dihydro-2,6-dimethyl-4-(2-pyridyl)pyridine-3,5-dicarboxylate2',6'-DIMETHYL-1',4'-2H-(2,4')BIPYRIDINYL-3',5'-DICARBOXYLIC ACID DIMETHYL ESTERDimethyl 2',6'-dimethyl-1',4'-dihydro-[2,4'-bipyridine]-3',5'-dicarboxylatemethyl 5-(methoxycarbonyl)-2,6-dimethyl-4-(2-pyridyl)-1,4-dihydropyridine-3-ca rboxylate
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 498
Physicochemical properties
- Melting point
- 239 · 239-241 °C
- Boiling point
- 443.5 · 443.5±45.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 4.24 · 4.24±0.19(Predicted)
Chemistry & industry
Suppliers3 total
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
江苏新素新材料有限公司0512-66387919 15251950002 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…