5-Ethyl-2-methyl-4-nitropyridine 1-oxide
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Basic information
- CAS
1131-20-0- Standard SMILES
CCc1c[n+]([O-])c(C)cc1[N+](=O)[O-]- InChIKey
DANDYWNNFZVYIE-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.06914219
Names & identifiers
- Preferred name
- 5-Ethyl-2-methyl-4-nitropyridine 1-oxide
- IUPAC
- 5-ethyl-2-methyl-4-nitro-1-oxidopyridin-1-ium
- English name
- 3-ethyl-6-methyl-4-nitro-6H-pyridine 1-oxide
- Molecular formula
- C8H10N2O3
- Molecular weight
- 182.18
Names & synonyms
5-Ethyl-2-methyl-4-nitropyridine 1-oxide1131-20-03-ethyl-6-methyl-4-nitro-6H-pyridine 1-oxide5-ethyl-2-methyl-4-nitro-1-oxidopyridin-1-iumNCI60_004290CHEMBL1987303DTXSID70345213NSC167949NSC527353STK530684AKOS005463535NSC-167949
Show more names
Pyridine, 5-ethyl-2-methyl-4-nitro-, 1-oxide
NSC-5273535-Ethyl-2-methyl-4-nitropyridine1-oxideDB-3686915-Ethyl-2-methyl-4-nitro-1-oxo-1lambda~5~-pyridine
Database identifiers
- CAS
1131-20-0- PubChem CID
- 602706
- DTXSID
DTXSID70345213- ChEMBL
CHEMBL1987303- Nikkaji
- J1.393.000G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Melting point
- 79.6 · 79.6-80.3 °C
- Boiling point
- 386.1 · 386.1±37.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- -1.03 · -1.03±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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