3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one

C8H6F3NO2 — CID 639503

IUPAC3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESCC(=O)c1c(C(F)(F)F)[nH]ccc1=O
InChIInChI=1S/C8H6F3NO2/c1-4(13)6-5(14)2-3-12-7(6)8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyURVYIANWVKDPOL-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.60
Rot. Bonds1

About 3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one

3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 639503) has the molecular formula C8H6F3NO2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID639503
Molecular FormulaC8H6F3NO2
Molecular Weight205.13 g/mol
Exact Mass205.04
IUPAC Name3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one
SMILESCC(=O)c1c(C(F)(F)F)[nH]ccc1=O
InChIInChI=1S/C8H6F3NO2/c1-4(13)6-5(14)2-3-12-7(6)8(9,10)11/h2-3H,1H3,(H,12,14)
InChIKeyURVYIANWVKDPOL-UHFFFAOYSA-N
XLogP1.60
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-2-(trifluoromethyl)pyridin-4-ol
CID 15836685
5-ethyl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 23244054
1-(4-Hydroxy-6-methylpyridin-3-yl)ethan-1-one
CID 72214113
2-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-4-one
CID 58439432
2-ethyl-3-(trifluoromethyl)-1H-pyridin-4-one
CID 68387638
4-Hydroxy-6-(trifluoromethyl)nicotinaldehyde
CID 72212468
4,4,4-trifluoro-1-(4-oxo-1H-pyridin-2-yl)butane-1,3-dione
CID 117656037
5-propan-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 117705395
2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one
CID 123807226
5-prop-1-en-2-yl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 147695886
5-tert-butyl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 156484098
3-Acetyl-1-(2,2-difluoroethyl)-2-methylpyridin-4-one
CID 169844572

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one (CID 639503) is 3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one is CC(=O)c1c(C(F)(F)F)[nH]ccc1=O.
What is the InChIKey of 3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is URVYIANWVKDPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2/c1-4(13)6-5(14)2-3-12-7(6)8(9,10)11/h2-3H,1H3,(H,12,14).
What are the key properties of 3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one?
3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 205.13 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 639503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).