3-(trifluoromethoxy)-1H-pyridin-2-one

C6H4F3NO2 — CID 130088832

IUPAC3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OC(F)(F)F
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)12-4-2-1-3-10-5(4)11/h1-3H,(H,10,11)
InChIKeyXGWGLCHSNCANAO-UHFFFAOYSA-N
MW179.10 g/mol
LogP1.27
Rot. Bonds1

About 3-(trifluoromethoxy)-1H-pyridin-2-one

3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130088832) has the molecular formula C6H4F3NO2 and a molecular weight of 179.10 g/mol. Its IUPAC name is 3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130088832
Molecular FormulaC6H4F3NO2
Molecular Weight179.10 g/mol
Exact Mass179.02
IUPAC Name3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1OC(F)(F)F
InChIInChI=1S/C6H4F3NO2/c7-6(8,9)12-4-2-1-3-10-5(4)11/h1-3H,(H,10,11)
InChIKeyXGWGLCHSNCANAO-UHFFFAOYSA-N
XLogP1.27
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxy-2-pyridone
CID 88731
3-(Acetyloxy)-2(1H)-pyridinone
CID 97266
3-Methoxypyridin-2-ol hydrochloride
CID 91659167
(2-oxo-1H-pyridin-3-yl) carbamate
CID 129630483
3-(1,1,2,3,3,3-Hexafluoropropyloxy)pyridin-2-ol
CID 14740074
5-Bromo-3-(difluoromethoxy)pyridin-2-ol
CID 66617441
3-(Difluoromethoxy)pyridin-2-ol
CID 66617507
2-Hydroxy-3-methoxy-4-(trifluoromethyl)pyridine
CID 118704354
5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130089369
5-fluoro-3-methoxy-1H-pyridin-2-one
CID 130840624
3-(Difluoromethoxy)-1-methylpyridin-2-one
CID 135334628
3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 140672179

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-(trifluoromethoxy)-1H-pyridin-2-one (CID 130088832) is 3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cccc1OC(F)(F)F.
What is the InChIKey of 3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is XGWGLCHSNCANAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2/c7-6(8,9)12-4-2-1-3-10-5(4)11/h1-3H,(H,10,11).
What are the key properties of 3-(trifluoromethoxy)-1H-pyridin-2-one?
3-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 179.10 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130088832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).