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Basic information
- CAS
237760-08-6- Standard SMILES
COC(=O)c1c(O)ccnc1C(F)(F)F- InChIKey
NGKMJXTWZOCSHG-UHFFFAOYSA-N- Molecular formula
- C8H6F3NO3
- Average molar mass
- 221.13 g/mol
- Monoisotopic mass
- 221.02997754
Names & identifiers
- Preferred name
- Methyl 4-Hydroxy-2-(trifluoromethyl)-3-pyridinecarboxylate
- IUPAC
- methyl 4-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxylate
Names & synonyms
237760-08-6METHYL 4-HYDROXY-2-(TRIFLUOROMETHYL)NICOTINATEMethyl 4-Hydroxy-2-(trifluoromethyl)-3-pyridinecarboxylateMFCD28800319SCHEMBL6727082DTXSID501191227AT21085SY357009CS-0433615Methyl 4-hydroxy-2-(trifluoromethyl)pyridine-3-carboxylatemethyl 4-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxylate3-Pyridinecarboxylic acid, 4-hydroxy-2-(trifluoromethyl)-, methyl ester
Database identifiers
- CAS
237760-08-6- PubChem CID
- 22668820
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 368
Related reactions
2 records
Compound notes
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