Methyl 4-hydroxy-7-(trifluoromethyl)quinoline-2-carboxylate
Basic information
- CAS
1072944-69-4- Standard SMILES
COC(=O)c1cc(=O)c2ccc(C(F)(F)F)cc2[nH]1- InChIKey
HXMSYFTWUSYAPH-UHFFFAOYSA-N- Molecular formula
- C12H8F3NO3
- Average molar mass
- 271.19 g/mol
- Monoisotopic mass
- 271.0456276
Names & identifiers
- Preferred name
- Methyl 4-hydroxy-7-(trifluoromethyl)quinoline-2-carboxylate
- IUPAC
- methyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-2-carboxylate
- English name
- METHYL 4-HYDROXY-7-(TRIFLUOROMETHYL)QUINOLINE-2-CARBOXYLATE
- Molecular formula
- C12H8F3NO3
- Molecular weight
- 271.19
Names & synonyms
METHYL 4-HYDROXY-7-(TRIFLUOROMETHYL)QUINOLINE-2-CARBOXYLATE1072944-69-4methyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylate77474-24-9MFCD11504916methyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-2-carboxylateSCHEMBL431854SCHEMBL2910799DTXSID30621560AKOS015856404SB71671BS-26143
Show more names
2-Quinolinecarboxylic acid, 4-hydroxy-7-(trifluoromethyl)-, methyl ester
SY281001DB-352032CS-0187508D97529F216061methyl4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylate
Database identifiers
- CAS
1072944-69-4- PubChem CID
- 22017497
- DTXSID
DTXSID30621560
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 430
Physicochemical properties
- Boiling point
- 411.6 · 411.6±40.0 °C(Predicted)
- Density
- 1.453 · 1.453±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.23 · 6.23±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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