Basic information
- Standard SMILES
Cc1[nH]cc(C(=O)O)c(=O)c1-c1cccc(C(F)(F)F)c1- InChIKey
PGELNDJFYITTRH-UHFFFAOYSA-N- Molecular formula
- C14H10F3NO3
- Average molar mass
- 297.23 g/mol
- Monoisotopic mass
- 297.06127767
Names & identifiers
- Preferred name
- 6-Methyl-4-oxo-5-(3-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acid
- IUPAC
- 6-methyl-4-oxo-5-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
Names & synonyms
6-Methyl-4-oxo-5-(3-trifluoromethyl-phenyl)-1,4-dihydro-pyridine-3-carboxylic acidSCHEMBL154858081569649-42-8DB-124368
Database identifiers
- PubChem CID
- 86711532
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 534
Related reactions
7 records
Compound notes
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