Basic information
- Standard SMILES
Cc1cc(-c2cccc(OC(F)(F)F)c2)nc(C)c1C(=O)O- InChIKey
AZDBHKWRMZRXGG-UHFFFAOYSA-N- Molecular formula
- C15H12F3NO3
- Average molar mass
- 311.25 g/mol
Names & identifiers
- Preferred name
- 2,4-Dimethyl-6-(3-trifluoromethoxy-phenyl)-nicotinic acid
- IUPAC
- 2,4-dimethyl-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
Names & synonyms
2,4-dimethyl-6-(3-trifluoromethoxy-phenyl)-nicotinic acidSCHEMBL1085051
Database identifiers
- PubChem CID
- 66901536
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 402
Related reactions
2 records
Compound notes
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