2(1H)-Pyridinone, 5-methyl-3-nitro-4-(2-pyridinylthio)-
Basic information
- CAS
172469-90-8- Standard SMILES
Cc1c[nH]c(=O)c([N+](=O)[O-])c1Sc1ccccn1- InChIKey
KIJAPJAGZPLNDF-UHFFFAOYSA-N- Molecular formula
- C11H9N3O3S
- Average molar mass
- 263.27 g/mol
- Monoisotopic mass
- 263.03646233
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 5-methyl-3-nitro-4-(2-pyridinylthio)-
- IUPAC
- 5-methyl-3-nitro-4-pyridin-2-ylsulfanyl-1H-pyridin-2-one
Names & synonyms
2(1H)-Pyridinone, 5-methyl-3-nitro-4-(2-pyridinylthio)-172469-90-8CHEMBL342788SCHEMBL8081107DTXSID001693033-NO2-2-Pyridinone, 4-Pyridyl-SH deriv.5-methyl-3-nitro-4-(2-pyridylsulfanyl)-1H-pyridin-2-one5-Methyl-3-nitro-4-[(pyridin-2-yl)sulfanyl]pyridin-2(1H)-one
Database identifiers
- CAS
172469-90-8- PubChem CID
- 464592
- DTXSID
DTXSID00169303- ChEMBL
CHEMBL342788
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 439
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Compound notes
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