Ethyl 4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carboxylate
Basic information
- CAS
6972-37-8- Standard SMILES
CCOC(=O)c1c(C)c([N+](=O)[O-])c(C)[nH]c1=O- InChIKey
CSKMQCJKNCPERC-UHFFFAOYSA-N- Molecular formula
- C10H12N2O5
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.07462149
Names & identifiers
- Preferred name
- Ethyl 4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carboxylate
- IUPAC
- ethyl 4,6-dimethyl-5-nitro-2-oxo-1H-pyridine-3-carboxylate
Names & synonyms
6972-37-8ethyl 4,6-dimethyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carboxylateNSC61977SCHEMBL30433473DTXSID60289571NSC-61977Nicotinic acid, 1,2-dihydro-4,6-dimethyl-5-nitro-2-oxo-, ethyl ester
Database identifiers
- CAS
6972-37-8- PubChem CID
- 247449
- DTXSID
DTXSID60289571
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 456
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Compound notes
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