5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one

C7H5ClF3NO2 — CID 171552613

IUPAC5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)cc1OCC(F)(F)F
InChIInChI=1S/C7H5ClF3NO2/c8-4-1-5(6(13)12-2-4)14-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyNANXKFTZYLDTAB-UHFFFAOYSA-N
MW227.57 g/mol
LogP1.97
Rot. Bonds2

About 5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one

5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one (PubChem CID 171552613) has the molecular formula C7H5ClF3NO2 and a molecular weight of 227.57 g/mol. Its IUPAC name is 5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
PubChem CID171552613
Molecular FormulaC7H5ClF3NO2
Molecular Weight227.57 g/mol
Exact Mass227.00
IUPAC Name5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Cl)cc1OCC(F)(F)F
InChIInChI=1S/C7H5ClF3NO2/c8-4-1-5(6(13)12-2-4)14-3-7(9,10)11/h1-2H,3H2,(H,12,13)
InChIKeyNANXKFTZYLDTAB-UHFFFAOYSA-N
XLogP1.97
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.57
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one (CID 171552613) is 5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one is O=c1[nH]cc(Cl)cc1OCC(F)(F)F.
What is the InChIKey of 5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
The InChIKey is NANXKFTZYLDTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO2/c8-4-1-5(6(13)12-2-4)14-3-7(9,10)11/h1-2H,3H2,(H,12,13).
What are the key properties of 5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one?
5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one has a molecular weight of 227.57 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 171552613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).