4-Pyridinecarboxylic acid, 3-cyano-2-[(diethoxyphosphinothioyl)oxy]-6-methyl-, ethyl ester
Basic information
- CAS
23819-94-5- Standard SMILES
CCOC(=O)c1cc(C)nc(OP(=S)(OCC)OCC)c1C#N- InChIKey
QREQPDSQERABEV-UHFFFAOYSA-N- Molecular formula
- C14H19N2O5PS
- Average molar mass
- 358.35 g/mol
- Monoisotopic mass
- 358.07522988
Names & identifiers
- Preferred name
- 4-Pyridinecarboxylic acid, 3-cyano-2-[(diethoxyphosphinothioyl)oxy]-6-methyl-, ethyl ester
- IUPAC
- ethyl 3-cyano-2-diethoxyphosphinothioyloxy-6-methylpyridine-4-carboxylate
Names & synonyms
23819-94-54-Pyridinecarboxylic acid, 3-cyano-2-[(diethoxyphosphinothioyl)oxy]-6-methyl-, ethyl ester4-Pyridinecarboxylic acid, 3-cyano-2-((diethoxyphosphinothioyl)oxy)-6-methyl-, ethyl esterRefChem:296049QREQPDSQERABEV-UHFFFAOYSA-NDTXSID601121542DB-004558Ethyl 3-cyano-2-((diethoxyphosphorothioyl)oxy)-6-methylisonicotinateETHYL3-CYANO-2-[(DIETHOXYPHOSPHOROTHIOYL)OXY]-6-METHYLISONICOTINATEEthyl 3-cyano-2-[(diethoxyphosphorothioyl)oxy]-6-methylpyridine-4-carboxylate
Database identifiers
- CAS
23819-94-5- PubChem CID
- 609728
- DTXSID
DTXSID601121542
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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