Basic information
- Standard SMILES
O=C(O)c1cc(-c2cc(F)cc(Cl)c2)n(-c2ccccn2)n1- InChIKey
FPTJSDUSYSOPPU-UHFFFAOYSA-N- Molecular formula
- C15H9ClFN3O2
- Average molar mass
- 317.7 g/mol
- Monoisotopic mass
- 317.0367324
Names & identifiers
- Preferred name
- 5-(3-Chloro-5-fluorophenyl)-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylic acid
- IUPAC
- 5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
Names & synonyms
SCHEMBL14995555FPTJSDUSYSOPPU-UHFFFAOYSA-N5-(3-Chloro-5-fluorophenyl)-1-(pyridin-2-yl)-1H-pyrazole-3-carboxylic acid
Database identifiers
- PubChem CID
- 89602575
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 414
Related reactions
46 records
Compound notes
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