Basic information
- CAS
3268-67-5- Standard SMILES
O=c1[nH]n(-c2ccccc2)c2cc[n+]([O-])cc12- InChIKey
JAKFOFNZWBDIAY-UHFFFAOYSA-N- Molecular formula
- C12H9N3O2
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.06947654
Names & identifiers
- Preferred name
- 1-Phenyl-1,2-dihydro-3h-pyrazolo[4,3-c]pyridin-3-one 5-oxide
- IUPAC
- 5-oxido-1-phenyl-2H-pyrazolo[4,3-c]pyridin-5-ium-3-one
Names & synonyms
3268-67-51-phenyl-1,2-dihydro-3h-pyrazolo[4,3-c]pyridin-3-one 5-oxideNSC87226DTXSID30293105NSC-872265-Oxo-1-phenyl-1,2-dihydro-3H-5lambda~5~-pyrazolo[4,3-c]pyridin-3-one
Database identifiers
- CAS
3268-67-5- PubChem CID
- 258372
- DTXSID
DTXSID30293105
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 304
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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