Basic information
- CAS
339024-23-6- Standard SMILES
O=C(O)c1cc(Cl)cn(Cc2cccc(C(F)(F)F)c2)c1=O- InChIKey
PSOKAGYBZNYHEB-UHFFFAOYSA-N- Molecular formula
- C14H9ClF3NO3
- Average molar mass
- 331.67 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylic acid
- IUPAC
- 5-chloro-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
- English name
- 5-Chloro-2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylic acid
- Molecular formula
- C14H9ClF3NO3
- Molecular weight
- 331.67
Names & synonyms
339024-23-65-chloro-2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxylic acid5-chloro-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic AcidMFCD001402905-chloro-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxylic acidAKOS0051006058E-333S5-chloro-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxylicacid3-Pyridinecarboxylic acid, 5-chloro-1,2-dihydro-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-
Database identifiers
- CAS
339024-23-6
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 542
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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