Basic information
- Standard SMILES
CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1Cl- InChIKey
PVFGSKQIWARIMW-UHFFFAOYSA-N- Molecular formula
- C15H12ClN3O2
- Average molar mass
- 301.73 g/mol
- Monoisotopic mass
- 301.0618043
Names & identifiers
- Preferred name
- Ethyl 4-chloro-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
- IUPAC
- ethyl 4-chloro-1-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
Names & synonyms
Ethyl 4-chloro-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate19743-76-1SCHEMBL4339575PVFGSKQIWARIMW-UHFFFAOYSA-NEthyl 4-chloro-1-phenyl-1H-pyrazolo [3,4-b]pyridine-5-carboxylateEthyl4-chloro-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Database identifiers
- PubChem CID
- 3572813
- Nikkaji
- J922.882I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Related reactions
16 records
Compound notes
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