Basic information
- Standard SMILES
O=C(O)c1cc(C(F)(F)F)nn1-c1ncc(Cl)cc1Cl- InChIKey
IMVXCFUIMOMYNY-UHFFFAOYSA-N- Molecular formula
- C10H4Cl2F3N3O2
- Average molar mass
- 326.06 g/mol
- Monoisotopic mass
- 324.9632663
Names & identifiers
- Preferred name
- 1-(3,5-dichloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
- IUPAC
- 1-(3,5-dichloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxylic acid
Names & synonyms
1-(3,5-dichloropyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acidSCHEMBL1198151
Database identifiers
- PubChem CID
- 66939229
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
Related reactions
5 records
Compound notes
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