1(2H)-Pyridineacetic acid, 3,5-dichloro-2-oxo-, ethyl ester
Basic information
- CAS
25177-50-8- Standard SMILES
CCOC(=O)Cn1cc(Cl)cc(Cl)c1=O- InChIKey
KUCKYONRKRINMO-UHFFFAOYSA-N- Molecular formula
- C9H9Cl2NO3
- Average molar mass
- 250.08 g/mol
- Monoisotopic mass
- 248.9959485
Names & identifiers
- Preferred name
- 1(2H)-Pyridineacetic acid, 3,5-dichloro-2-oxo-, ethyl ester
- IUPAC
- ethyl 2-(3,5-dichloro-2-oxo-1-pyridinyl)acetate
- English name
- 3,5-Dichloro-2-oxo-1,2-dihydro-1-pyridineacetic acid ethyl ester
- Molecular formula
- C9H9Cl2NO3
- Molecular weight
- 250.08
Names & synonyms
BRN 018831525177-50-81(2H)-Pyridineacetic acid, 3,5-dichloro-2-oxo-, ethyl esterEthyl 3,5-dichloro-2-pyridone-1-acetate3,5-Dichloro-2-oxo-1(2H)-pyridineacetic acid ethyl esterDTXSID401798454-21-00-03386 (Beilstein Handbook Reference)RefChem:211623DTXCID00102336ethyl (3,5-dichloro-2-oxopyridin-1(2H)-yl)acetate3,5-Dichloro-2-oxo-1,2-dihydro-1-pyridineacetic acid ethyl ester
Database identifiers
- CAS
25177-50-8- PubChem CID
- 212853
- DTXSID
DTXSID40179845- Nikkaji
- J51.275C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 339.6 · 339.6±42.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- -4.05 · -4.05±0.70(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…