3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one

C8H6F3NO — CID 102291873

IUPAC3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESC=Cc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C8H6F3NO/c1-2-5-3-6(8(9,10)11)4-12-7(5)13/h2-4H,1H2,(H,12,13)
InChIKeyZJVQEUGXOUCTNQ-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.04
Rot. Bonds1

About 3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one

3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 102291873) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID102291873
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESC=Cc1cc(C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C8H6F3NO/c1-2-5-3-6(8(9,10)11)4-12-7(5)13/h2-4H,1H2,(H,12,13)
InChIKeyZJVQEUGXOUCTNQ-UHFFFAOYSA-N
XLogP2.04
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Hydroxy-5-(trifluoromethyl)pyridine
CID 147443
2(1H)-Pyridinone, 3-(trifluoromethyl)-
CID 3678411
2-Hydroxy-4-(trifluoromethyl)pyridine
CID 2775130
3,5-Bis(trifluoromethyl)pyridin-2-ol
CID 14148750
3,5-Dimethyl-1,2-dihydropyridin-2-one
CID 12348538
3-Fluoro-5-methyl-1,2-dihydropyridin-2-one
CID 12552277
3-Iodo-5-(Trifluoromethyl)Pyridin-2-Ol
CID 46315209
5-(Trifluoroacetyl)-1,2-dihydropyridin-2-one
CID 57970624
5-(Difluoromethyl)pyridin-2-ol
CID 83854588
5-[chloro(difluoro)methyl]-1H-pyridin-2-one
CID 2315451
5-(Perfluoroethyl)-3-(trifluoromethyl)pyridin-2-OL
CID 154717791
3-Ethenylpyridin-2(1H)-one
CID 9942142

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one (CID 102291873) is 3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one is C=Cc1cc(C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is ZJVQEUGXOUCTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c1-2-5-3-6(8(9,10)11)4-12-7(5)13/h2-4H,1H2,(H,12,13).
What are the key properties of 3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one?
3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 189.14 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 102291873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).