3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one

C7H3F6NO2 — CID 130092905

IUPAC3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C7H3F6NO2/c8-6(9,10)4-2-1-3(5(15)14-4)16-7(11,12)13/h1-2H,(H,14,15)
InChIKeyJIDNPBMRXPASFH-UHFFFAOYSA-N
MW247.09 g/mol
LogP2.29
Rot. Bonds1

About 3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one

3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130092905) has the molecular formula C7H3F6NO2 and a molecular weight of 247.09 g/mol. Its IUPAC name is 3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130092905
Molecular FormulaC7H3F6NO2
Molecular Weight247.09 g/mol
Exact Mass247.01
IUPAC Name3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(C(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C7H3F6NO2/c8-6(9,10)4-2-1-3(5(15)14-4)16-7(11,12)13/h1-2H,(H,14,15)
InChIKeyJIDNPBMRXPASFH-UHFFFAOYSA-N
XLogP2.29
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl] hydrogen carbonate
CID 68503155
3-(difluoromethoxy)-6-methyl-1H-pyridin-2-one
CID 143740836
3-[[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]oxy]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 177939740
2-Hydroxy-3-methoxy-6-(trifluoromethyl)pyridine
CID 46318014
2,3-Dihydroxy-6-(trifluoromethyl)pyridine
CID 118704238
4-amino-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118806465
2-(Difluoromethyl)-6-hydroxy-3-iodo-5-methoxypyridine
CID 118809443
4-Amino-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridin-2-ol
CID 118812368
4-(fluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 118812672
4-(Difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridin-2-ol
CID 118823726
4-Amino-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118827876
4-Chloro-6-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118839413

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 130092905) is 3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(C(F)(F)F)ccc1OC(F)(F)F.
What is the InChIKey of 3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is JIDNPBMRXPASFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F6NO2/c8-6(9,10)4-2-1-3(5(15)14-4)16-7(11,12)13/h1-2H,(H,14,15).
What are the key properties of 3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one?
3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 247.09 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130092905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).