Basic information
- CAS
4262-08-2- Standard SMILES
O=[N+]([O-])c1ccc(Sc2ccccn2)nc1- InChIKey
YTPBBDPUVGPTBV-UHFFFAOYSA-N- Molecular formula
- C10H7N3O2S
- Average molar mass
- 233.25 g/mol
- Monoisotopic mass
- 233.02589765
Names & identifiers
- Preferred name
- 5-Nitro-2-pyridin-2-ylsulfanylpyridine
- IUPAC
- 5-nitro-2-pyridin-2-ylsulfanylpyridine
Names & synonyms
5-nitro-2-pyridin-2-ylsulfanylpyridineMaybridge1_0021274262-08-2MLS000851080CHEMBL1460993HMS547I15DTXSID201103637HMS2810N045-nitro-2-(2-pyridylthio)pyridine5-nitro-2-(2-pyridinylthio)pyridineCCG-236273SMR000457323
Database identifiers
- CAS
4262-08-2- PubChem CID
- 2801413
- DTXSID
DTXSID201103637- ChEMBL
CHEMBL1460993
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Experimental & physicochemical properties
Solubility34.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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