Basic information
- Standard SMILES
CCOC(=O)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1- InChIKey
KEQFOTVNEVWRDI-UHFFFAOYSA-N- Molecular formula
- C16H13FN2O2
- Average molar mass
- 284.28 g/mol
Names & identifiers
- Preferred name
- ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate
- IUPAC
- ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate
Names & synonyms
SCHEMBL5386371CHEMBL3901424KEQFOTVNEVWRDI-UHFFFAOYSA-Nethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate
Database identifiers
- PubChem CID
- 22479944
- ChEMBL
CHEMBL3901424
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Related reactions
4 records
Compound notes
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