Ethyl 6-chloro-5-cyano-2-(dimethylamino)nicotinate
Basic information
- CAS
919354-53-3- Standard SMILES
CCOC(=O)c1cc(C#N)c(Cl)nc1N(C)C- InChIKey
MBDUFMOHKGVUGS-UHFFFAOYSA-N- Molecular formula
- C11H12ClN3O2
- Average molar mass
- 253.68 g/mol
- Monoisotopic mass
- 253.0618043
Names & identifiers
- Preferred name
- Ethyl 6-chloro-5-cyano-2-(dimethylamino)nicotinate
- IUPAC
- ethyl 6-chloro-5-cyano-2-(dimethylamino)pyridine-3-carboxylate
Names & synonyms
Ethyl 6-chloro-5-cyano-2-(dimethylamino)nicotinate919354-53-3SCHEMBL4875503MBDUFMOHKGVUGS-UHFFFAOYSA-NDTXSID301179485Ethyl 6-chloro-5-cyano-2-(dimethylamino)-3-pyridinecarboxylateETHYL 6-CHLORO-5-CYANO-2-(DIMETHYLAMINO)PYRIDINE-3-CARBOXYLATE
Database identifiers
- CAS
919354-53-3- PubChem CID
- 86625652
- DTXSID
DTXSID301179485
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
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Related reactions
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Compound notes
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