4-Amino-1,6-dimethyl-3-nitropyridin-2-one
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Basic information
- CAS
4966-94-3- Standard SMILES
Cc1cc(N)c([N+](=O)[O-])c(=O)n1C- InChIKey
BSSDBDXYZUBIDN-UHFFFAOYSA-N- Molecular formula
- C7H9N3O3
- Average molar mass
- 183.16 g/mol
- Monoisotopic mass
- 183.06439116
Names & identifiers
- Preferred name
- 4-Amino-1,6-dimethyl-3-nitropyridin-2-one
- IUPAC
- 4-amino-1,6-dimethyl-3-nitropyridin-2-one
- English name
- 2(1H)-Pyridone, 4-amino-1,6-dimethyl-3-nitro- (7CI,8CI)
- Molecular formula
- C7H9N3O3
- Molecular weight
- 183.16
Names & synonyms
4966-94-3SCHEMBL27041713DB-2688622(1H)-PYRIDONE, 4-AMINO-1,6-DIMETHYL-3-NITRO-2(1H)-Pyridinone, 4-amino-1,6-dimethyl-3-nitro-2(1H)-Pyridone, 4-amino-1,6-dimethyl-3-nitro- (7CI,8CI)
Database identifiers
- CAS
4966-94-3- PubChem CID
- 45123326
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 271.4 · 271.4±40.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- -2 · -2.00±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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