1-(2,2,2-trichloro-1-hydroxyethyl)-2(1H)-pyridinone
Basic information
- CAS
202118-72-7- Standard SMILES
O=c1ccccn1C(O)C(Cl)(Cl)Cl- InChIKey
GBVWQBGBQACOFC-UHFFFAOYSA-N- Molecular formula
- C7H6Cl3NO2
- Average molar mass
- 242.5 g/mol
- Monoisotopic mass
- 240.946412
Names & identifiers
- Preferred name
- 1-(2,2,2-trichloro-1-hydroxyethyl)-2(1H)-pyridinone
- IUPAC
- 1-(2,2,2-trichloro-1-hydroxyethyl)pyridin-2-one
- English name
- 1-(2,2,2-trichloro-1-hydroxyethyl)pyridin-2-one
- Molecular formula
- C7H6Cl3NO2
- Molecular weight
- 242.49
Names & synonyms
1-(2,2,2-trichloro-1-hydroxyethyl)-2(1H)-pyridinone202118-72-72(1H)-Pyridinone, 1-(2,2,2-trichloro-1-hydroxyethyl)-DTXSID501225119AKOS002179477AKOS016295978ST500682931-(2,2,2-trichloro-1-hydroxyethyl)hydropyridin-2-one1-(2,2,2-Trichloro-1-hydroxyethyl)pyridin-2(1H)-one1-(2,2,2-trichloro-1-hydroxyethyl)pyridin-2-one1-(2,2,2-TRICHLORO-1-HYDROXY-ETHYL)-1H-PYRIDIN-2-ONE
Database identifiers
- CAS
202118-72-7- PubChem CID
- 4137482
- DTXSID
DTXSID501225119
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 375.2 · 375.2±42.0 °C(Predicted)
- Density
- 1.639 · 1.639±0.06 g/cm3(Predicted)
- pka
- 10.83 · 10.83±0.20(Predicted)
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