6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one

C12H6F6N2O2 — CID 102133696

IUPAC6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(=O)[nH]2)[nH]1
InChIInChI=1S/C12H6F6N2O2/c13-11(14,15)5-1-7(19-9(21)3-5)8-2-6(12(16,17)18)4-10(22)20-8/h1-4H,(H,19,21)(H,20,22)
InChIKeyXGAZHIYUSJOBQV-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.77
Rot. Bonds1

About 6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one

6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 102133696) has the molecular formula C12H6F6N2O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID102133696
Molecular FormulaC12H6F6N2O2
Molecular Weight324.18 g/mol
Exact Mass324.03
IUPAC Name6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(=O)[nH]2)[nH]1
InChIInChI=1S/C12H6F6N2O2/c13-11(14,15)5-1-7(19-9(21)3-5)8-2-6(12(16,17)18)4-10(22)20-8/h1-4H,(H,19,21)(H,20,22)
InChIKeyXGAZHIYUSJOBQV-UHFFFAOYSA-N
XLogP2.77
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-4-(trifluoromethyl)pyridin-2(1H)-one
CID 2782992
4-Methyl-6-(trifluoromethyl)pyridin-2(1H)-one
CID 10035141
4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1H-pyridin-2-one
CID 10105131
4,6-Bis(trifluoromethyl)pyridin-2(1H)-one
CID 13148079
6-amino-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one
CID 70023407
4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-OL
CID 72216179
1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one;6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 158497319
6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;propane
CID 160211709
ethane;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 166548467
4,5,6-tris(trifluoromethyl)-1H-pyridin-2-one
CID 173378849
4-methyl-5,6-bis(trifluoromethyl)-1H-pyridin-2-one
CID 173378863
6-methyl-4,5-bis(trifluoromethyl)-1H-pyridin-2-one
CID 173379019

Frequently Asked Questions

What is the IUPAC name of 6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one (CID 102133696) is 6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(=O)[nH]2)[nH]1.
What is the InChIKey of 6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is XGAZHIYUSJOBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F6N2O2/c13-11(14,15)5-1-7(19-9(21)3-5)8-2-6(12(16,17)18)4-10(22)20-8/h1-4H,(H,19,21)(H,20,22).
What are the key properties of 6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one?
6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 324.18 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 102133696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).