Basic information
- Standard SMILES
C=Cn1ncc2c(OCC)c(C(=O)OCC)cnc21- InChIKey
QLHDIMNXVZEJDR-UHFFFAOYSA-N- Molecular formula
- C13H15N3O3
- Average molar mass
- 261.28 g/mol
Names & identifiers
- Preferred name
- ethyl 4-ethoxy-1-vinyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
- IUPAC
- ethyl 1-ethenyl-4-ethoxypyrazolo[3,4-b]pyridine-5-carboxylate
Names & synonyms
SCHEMBL9836742QLHDIMNXVZEJDR-UHFFFAOYSA-Nethyl 4-ethoxy-1-vinyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Database identifiers
- PubChem CID
- 20139386
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 66.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Related reactions
2 records
Compound notes
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