Basic information
- CAS
1260778-46-8- Standard SMILES
CCOC(=O)c1cnc(Cl)cc1C(F)(F)F- InChIKey
DSPKVBDBUNEDFL-UHFFFAOYSA-N- Molecular formula
- C9H7ClF3NO2
- Average molar mass
- 253.6 g/mol
- Monoisotopic mass
- 253.0117406
Names & identifiers
- Preferred name
- Ethyl 6-chloro-4-(trifluoromethyl)nicotinate
- IUPAC
- ethyl 6-chloro-4-(trifluoromethyl)pyridine-3-carboxylate
Names & synonyms
Ethyl 6-chloro-4-(trifluoromethyl)nicotinate1260778-46-83-Pyridinecarboxylic acid, 6-chloro-4-(trifluoromethyl)-, ethyl esterSCHEMBL18795052DSPKVBDBUNEDFL-UHFFFAOYSA-NDTXSID501157471Ethyl6-chloro-4-(trifluoromethyl)nicotinateETHYL 6-CHLORO-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXYLATE
Database identifiers
- CAS
1260778-46-8- PubChem CID
- 53404705
- DTXSID
DTXSID501157471
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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