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Basic information
- Standard SMILES
Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)cc1C=O- InChIKey
SSYBVCJLUQMYDD-UHFFFAOYSA-N- Molecular formula
- C11H7ClF3N3O
- Average molar mass
- 289.64 g/mol
- Monoisotopic mass
- 289.022974
Names & identifiers
- Preferred name
- 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-methylpyrazole-4-carbaldehyde
Names & synonyms
1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-1H-pyrazole-4-carbaldehydeSCHEMBL718711
Database identifiers
- PubChem CID
- 43348633
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 342
Related reactions
2 records
Compound notes
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