Basic information
- CAS
427886-22-4- Standard SMILES
CCOC(=O)c1ccnc(-c2cc(OC)c(Cl)c(OC)c2)c1- InChIKey
GLCZESBGOVFORB-UHFFFAOYSA-N- Molecular formula
- C16H16ClNO4
- Average molar mass
- 321.75 g/mol
- Monoisotopic mass
- 321.0767857
Names & identifiers
- Preferred name
- Ethyl 2-(4-chloro-3,5-dimethoxyphenyl)isonicotinate
- IUPAC
- ethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate
Names & synonyms
ethyl 2-(4-chloro-3,5-dimethoxyphenyl)isonicotinateSCHEMBL4129281GLCZESBGOVFORB-UHFFFAOYSA-NDTXSID401185382427886-22-4Ethyl 2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinecarboxylateethyl 2-(4-chloro-3,5-dimethoxyphenyl)pyridine-4-carboxylate
Database identifiers
- CAS
427886-22-4- PubChem CID
- 22557799
- DTXSID
DTXSID401185382
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 354
Related reactions
10 records
Compound notes
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