Basic information
- CAS
794461-86-2- Standard SMILES
CCOC(=O)c1cc2c(nc1C(F)(F)F)CNCC2- InChIKey
HQUITAKYLCSYBG-UHFFFAOYSA-N- Molecular formula
- C12H13F3N2O2
- Average molar mass
- 274.24 g/mol
- Monoisotopic mass
- 274.09291232
Names & identifiers
- Preferred name
- Ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate
- IUPAC
- ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate
- English name
- 2-Trifluoromethyl-5,6,7,8-tetrahydro-[1,7]naphthyridine-3-carboxylic acid ethyl ester
- Molecular weight
- 0
Names & synonyms
794461-86-2ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylateSCHEMBL4791549DTXSID50703812HQUITAKYLCSYBG-UHFFFAOYSA-N2-Trifluoromethyl-5,6,7,8-tetrahydro-[1,7]naphthyridine-3-carboxylic acid ethyl ester
Database identifiers
- CAS
794461-86-2- PubChem CID
- 53471985
- DTXSID
DTXSID50703812
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Chemistry & industry
Suppliers1 total
BETAPHARMA[email protected]
Related reactions
2 records
Compound notes
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