3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(2-nitrosophenyl)-, methyl 2-oxopropyl ester
Basic information
- CAS
149654-07-9- Standard SMILES
CC(=O)C(C)OC(=O)c1c(C)nc(C)c(C(=O)O)c1-c1ccccc1N=O- InChIKey
APIRVWKQVMPIQC-UHFFFAOYSA-N- Molecular formula
- C19H18N2O6
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.1164863
Names & identifiers
- Preferred name
- 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(2-nitrosophenyl)-, methyl 2-oxopropyl ester
- IUPAC
- 2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid
Names & synonyms
MP2589Methyl 2-oxopropyl 2,6-dimethyl-4-(2-nitrosophenyl)-3,5-pyridinedicarboxylate149654-07-93,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(2-nitrosophenyl)-, methyl 2-oxopropyl esterRefChem:272166D-2DTXSID109336982,6-Dimethyl-4-(2-nitrosophenyl)-5-{[(3-oxobutan-2-yl)oxy]carbonyl}pyridine-3-carboxylic acid
Database identifiers
- CAS
149654-07-9- PubChem CID
- 3073497
- DTXSID
DTXSID10933698
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 595
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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