Basic information
- CAS
172469-79-3- Standard SMILES
Cc1c[nH]c(=O)c([N+](=O)[O-])c1Sc1ccccc1- InChIKey
RYOFLAMAIGLWEH-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3S
- Average molar mass
- 262.29 g/mol
- Monoisotopic mass
- 262.04121336
Names & identifiers
- Preferred name
- 2(1H)-Pyridinone, 5-methyl-3-nitro-4-(phenylthio)-
- IUPAC
- 5-methyl-3-nitro-4-phenylsulfanyl-1H-pyridin-2-one
Names & synonyms
2(1H)-Pyridinone, 5-methyl-3-nitro-4-(phenylthio)-172469-79-35-Methyl-3-nitro-4-phenylsulfanyl-1H-pyridin-2-oneCHEMBL143701SCHEMBL7014254DTXSID501692925-Methyl-3-nitro-4-(phenylsulfanyl)pyridin-2(1H)-one
Database identifiers
- CAS
172469-79-3- PubChem CID
- 464577
- DTXSID
DTXSID50169292- ChEMBL
CHEMBL143701
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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