4-Nitrothieno[2,3-b]pyridine 7-oxide
Basic information
- CAS
25557-51-1- Standard SMILES
O=[N+]([O-])c1cc[n+]([O-])c2sccc12- InChIKey
SMQZHRUJEFBYJB-UHFFFAOYSA-N- Molecular formula
- C7H4N2O3S
- Average molar mass
- 196.19 g/mol
- Monoisotopic mass
- 195.99426317
Names & identifiers
- Preferred name
- 4-Nitrothieno[2,3-b]pyridine 7-oxide
- IUPAC
- 4-nitro-7-oxidothieno[2,3-b]pyridin-7-ium
- English name
- 4-nitro-7-oxidothieno[2,3-b]pyridin-7-ium
- Molecular formula
- C7H4N2O3S
- Molecular weight
- 196.18
Names & synonyms
25557-51-14-Nitrothieno[2,3-b]pyridine 7-oxide4-Nitro-7-oxo-7lambda~5~-thieno[2,3-b]pyridine4-nitro-7-oxidothieno[2,3-b]pyridin-7-iumDTXSID50345812Thieno[2, 4-nitro-, 7-oxideNSC152386NSC-152386Thieno[2,3-b]pyridine, 4-nitro-, 7-oxide
Database identifiers
- CAS
25557-51-1- PubChem CID
- 607269
- DTXSID
DTXSID50345812
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Boiling point
- 412.7 · 412.7±48.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- pka
- -2.08 · -2.08±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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