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

C6H4F3NO — CID 10953849

IUPAC2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(F)(F)F)c1
InChIInChI=1S/C6H4F3NO/c7-6(8,9)5-3-4(11)1-2-10-5/h1-3H,(H,10,11)
InChIKeyLKHCWMQMRXAPHX-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.39
Rot. Bonds

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

2-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 10953849) has the molecular formula C6H4F3NO and a molecular weight of 163.10 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID10953849
Molecular FormulaC6H4F3NO
Molecular Weight163.10 g/mol
Exact Mass163.02
IUPAC Name2-(trifluoromethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(F)(F)F)c1
InChIInChI=1S/C6H4F3NO/c7-6(8,9)5-3-4(11)1-2-10-5/h1-3H,(H,10,11)
InChIKeyLKHCWMQMRXAPHX-UHFFFAOYSA-N
XLogP1.39
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methylpyridin-4-ol
CID 140400
5-Methyl-2-(trifluoromethyl)pyridin-4-ol
CID 15836685
2-(Difluoromethyl)pyridin-4-ol
CID 17968263
5-Iodo-2-(trifluoromethyl)-4-pyridinol
CID 58053807
5-Fluoro-2-methylpyridin-4-OL
CID 127032713
3,4-Dihydroxy-2-(trifluoromethyl)pyridine
CID 44192511
(Z)-5,5,5-trifluoro-4-(methylamino)pent-3-en-2-one
CID 13633959
1-Methyl-2-(trifluoromethyl)-1,4-dihydropyridin-4-one
CID 55264879
5-Amino-2-(trifluoromethyl)pyridin-4-ol
CID 57347020
2-(1,1,1-Trifluoro-2-methylpropan-2-YL)pyridin-4(1H)-one
CID 71682809
5-Bromo-2-(trifluoromethyl)pyridin-4-OL
CID 72212544
6-(Trifluoromethyl)pyridine-3,4-diol
CID 72212545

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-(trifluoromethyl)-1H-pyridin-4-one (CID 10953849) is 2-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(trifluoromethyl)-1H-pyridin-4-one is O=c1cc[nH]c(C(F)(F)F)c1.
What is the InChIKey of 2-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is LKHCWMQMRXAPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO/c7-6(8,9)5-3-4(11)1-2-10-5/h1-3H,(H,10,11).
What are the key properties of 2-(trifluoromethyl)-1H-pyridin-4-one?
2-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 163.10 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 10953849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).