Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate
Basic information
- CAS
5427-92-9- Standard SMILES
CCOC(=O)c1c([N+](=O)[O-])c(C)[nH]c(=O)c1C#N- InChIKey
DAZOHUVXTFNNMV-UHFFFAOYSA-N- Molecular formula
- C10H9N3O5
- Average molar mass
- 251.2 g/mol
- Monoisotopic mass
- 251.0542204
Names & identifiers
- Preferred name
- Ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate
- IUPAC
- ethyl 5-cyano-2-methyl-3-nitro-6-oxo-1H-pyridine-4-carboxylate
- English name
- ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinate
- Molecular formula
- C10H9N3O5
- Molecular weight
- 251.2
Names & synonyms
5427-92-9ethyl 3-cyano-2-hydroxy-6-methyl-5-nitroisonicotinateEthyl 3-cyano-6-methyl-5-nitro-2-oxo-1,2-dihydropyridine-4-carboxylateethyl 5-cyano-2-methyl-3-nitro-6-oxo-1H-pyridine-4-carboxylateMLS000737405NSC13137Maybridge1_006098CHEMBL1580101HMS558N04DTXSID00279552HMS2856D10CCG-1657
Show more names
3-cyano-2-hydroxy-6-methyl-5-nitro-isonicotinic acid ethyl ester4-Pyridinecarboxylic acid, 3-cyano-1,2-dihydro-6-methyl-5-nitro-2-oxo-, ethyl ester
MFCD22377557NSC-13137SMR000528126SY374546Ethyl3-cyano-6-methyl-5-nitro-2-oxo-1,2-dihydropyridine-4-carboxylate
Database identifiers
- CAS
5427-92-9- PubChem CID
- 224566
- DTXSID
DTXSID00279552- ChEMBL
CHEMBL1580101
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 544
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
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Compound notes
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