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Basic information
- Standard SMILES
N#Cc1cc(C(=O)O)c2cnn(-c3ccc(F)cc3)c2c1- InChIKey
BXPGIYMKTPZQKH-UHFFFAOYSA-N- Molecular formula
- C15H8FN3O2
- Average molar mass
- 281.24 g/mol
- Monoisotopic mass
- 281.06005467
Names & identifiers
- Preferred name
- 6-cyano-1-(4-fluoro-phenyl)-1H-indazole-4-carboxylic acid
- IUPAC
- 6-cyano-1-(4-fluorophenyl)indazole-4-carboxylic acid
Names & synonyms
SCHEMBL1135640BXPGIYMKTPZQKH-UHFFFAOYSA-N6-cyano-1-(4-fluoro-phenyl)-1H-indazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 58138917
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 455
Related reactions
6 records
Compound notes
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