Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(-n2ncc3cccnc32)cc1- InChIKey
TVBHEYYCQMYCRB-UHFFFAOYSA-N- Molecular formula
- C12H8N4O2
- Average molar mass
- 240.22 g/mol
Names & identifiers
- Preferred name
- 1-(4-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine
- IUPAC
- 1-(4-nitrophenyl)pyrazolo[5,4-b]pyridine
Names & synonyms
1-(4-nitrophenyl)-1H-pyrazolo[3,4-b]pyridineSCHEMBL9980902TVBHEYYCQMYCRB-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 58577249
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
5 records
Compound notes
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