Basic information
- CAS
36701-95-8- Standard SMILES
CN(C)CCO.O=C(O)c1cccnc1Oc1cccc(C(F)(F)F)c1- InChIKey
QAEGNXMRNWYFHT-UHFFFAOYSA-N- Molecular formula
- C17H19F3N2O4
- Average molar mass
- 372.34 g/mol
- Monoisotopic mass
- 372.12969158
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 2-(3-(trifluoromethyl)phenoxy)-, compd. with 2-(dimethylamino)ethanol (1:1)
- IUPAC
- 2-(dimethylamino)ethanol;2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
Names & synonyms
36701-95-82-(3'-Trifluoromethyl) phenoxy nicotinate de dimethylaminoethanol [French]DTXSID301901652-(3'-Trifluoromethyl) phenoxy nicotinate de dimethylaminoethanolRefChem:282247DTXCID401126562-[3-(Trifluoromethyl)phenoxy]pyridine-3-carboxylic acid--2-(dimethylamino)ethan-1-ol (1/1)
Database identifiers
- CAS
36701-95-8- PubChem CID
- 215895
- DTXSID
DTXSID30190165
Properties
Computed structural properties
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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