2-Nitrothieno[2,3-b]pyridin-4-ol
Basic information
- CAS
104514-91-2- Standard SMILES
O=c1cc[nH]c2sc([N+](=O)[O-])cc12- InChIKey
YYIXFMVRDHMXKB-UHFFFAOYSA-N- Molecular formula
- C7H4N2O3S
- Average molar mass
- 196.19 g/mol
- Monoisotopic mass
- 195.99426317
Names & identifiers
- Preferred name
- 2-Nitrothieno[2,3-b]pyridin-4-ol
- IUPAC
- 2-nitro-7H-thieno[2,3-b]pyridin-4-one
Names & synonyms
2-Nitrothieno[2,3-b]pyridin-4-olDTXSID101301729104514-91-2
Database identifiers
- CAS
104514-91-2- PubChem CID
- 13601088
- DTXSID
DTXSID101301729
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…