5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one

C7H5ClF3NO2 — CID 14665039

IUPAC5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one
SMILESO=c1ccc(OC(F)(F)C(F)Cl)c[nH]1
InChIInChI=1S/C7H5ClF3NO2/c8-6(9)7(10,11)14-4-1-2-5(13)12-3-4/h1-3,6H,(H,12,13)
InChIKeyWOGMMOUACAHDEW-UHFFFAOYSA-N
MW227.57 g/mol
LogP1.88
Rot. Bonds3

About 5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one

5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one (PubChem CID 14665039) has the molecular formula C7H5ClF3NO2 and a molecular weight of 227.57 g/mol. Its IUPAC name is 5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one
PubChem CID14665039
Molecular FormulaC7H5ClF3NO2
Molecular Weight227.57 g/mol
Exact Mass227.00
IUPAC Name5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one
SMILESO=c1ccc(OC(F)(F)C(F)Cl)c[nH]1
InChIInChI=1S/C7H5ClF3NO2/c8-6(9)7(10,11)14-4-1-2-5(13)12-3-4/h1-3,6H,(H,12,13)
InChIKeyWOGMMOUACAHDEW-UHFFFAOYSA-N
XLogP1.88
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.57
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(difluoromethoxy)pyridin-2(1H)-one
CID 14665037
3-Chloro-5-(1,1,2,2-tetrafluoro-ethoxy)-pyridin-2-ol
CID 14665042
5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
CID 14665040
3-chloro-5-(difluoromethoxy)-1H-pyridin-2-one
CID 14665041
5-(1,1,2,2-Tetrafluoroethoxy)pyridin-2-ol
CID 14665038
3-Chloro-5-(2-chloro-1,1,2-trifluoroethoxy)pyridin-2-ol
CID 14665044
3-Fluoro-5-(1,1,2,2-tetrafluoroethoxy)-2-pyridinol
CID 14837014
5-(Trifluoromethoxy)pyridin-2-ol
CID 91256805
3-chloro-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 91483917
3-bromo-5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one
CID 14665043
3-chloro-5-(1,1,2,3,3,3-hexafluoropropoxy)-1H-pyridin-2-one
CID 14665045
5-chloro-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 130089688

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one (CID 14665039) is 5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one is O=c1ccc(OC(F)(F)C(F)Cl)c[nH]1.
What is the InChIKey of 5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one?
The InChIKey is WOGMMOUACAHDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2/c8-6(9)7(10,11)14-4-1-2-5(13)12-3-4/h1-3,6H,(H,12,13).
What are the key properties of 5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one?
5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one has a molecular weight of 227.57 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 14665039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).