Basic information
- Standard SMILES
Cc1c(C(=O)O)cnn1-c1nccc(Cl)c1F- InChIKey
NRQGEHTUDNVOAT-UHFFFAOYSA-N- Molecular formula
- C10H7ClFN3O2
- Average molar mass
- 255.63 g/mol
Names & identifiers
- Preferred name
- 1-(4-Chloro-3-fluoropyridin-2-yl)-5-methyl-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-(4-chloro-3-fluoro-2-pyridinyl)-5-methylpyrazole-4-carboxylic acid
Names & synonyms
SCHEMBL14692551NRQGEHTUDNVOAT-UHFFFAOYSA-N1-(4-Chloro-3-fluoropyridin-2-yl)-5-methyl-1H-pyrazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 71255686
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 307
Related reactions
2 records
Compound notes
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