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

C7H6F3NO — CID 123807226

IUPAC2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1C(F)(F)F
InChIInChI=1S/C7H6F3NO/c1-4-6(7(8,9)10)5(12)2-3-11-4/h2-3H,1H3,(H,11,12)
InChIKeyUAYXOWNYLAETSF-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.70
Rot. Bonds

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

2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one (PubChem CID 123807226) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one
PubChem CID123807226
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1C(F)(F)F
InChIInChI=1S/C7H6F3NO/c1-4-6(7(8,9)10)5(12)2-3-11-4/h2-3H,1H3,(H,11,12)
InChIKeyUAYXOWNYLAETSF-UHFFFAOYSA-N
XLogP1.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(Trifluoromethyl)pyridin-4-ol
CID 10953849
1-[4-Hydroxy-2-(trifluoromethyl)pyridin-3-YL]-ethanone
CID 639503
5-Methyl-2-(trifluoromethyl)pyridin-4-ol
CID 15836685
2-(Difluoromethyl)pyridin-4-ol
CID 17968263
2,3-Dimethyl-1,4-dihydropyridin-4-one
CID 21702749
5-Fluoro-2-methylpyridin-4-OL
CID 127032713
5-ethyl-2-(trifluoromethyl)-1H-pyridin-4-one
CID 23244054
3-(Trifluoromethyl)pyridin-4-OL
CID 22766085
2-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-4-one
CID 58439432
2-ethyl-3-(trifluoromethyl)-1H-pyridin-4-one
CID 68387638
2-(1,1,1-Trifluoro-2-methylpropan-2-YL)pyridin-4(1H)-one
CID 71682809
2-(fluoromethyl)-1H-pyridin-4-one
CID 84762203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one (CID 123807226) is 2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one?
The InChIKey is UAYXOWNYLAETSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c1-4-6(7(8,9)10)5(12)2-3-11-4/h2-3H,1H3,(H,11,12).
What are the key properties of 2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one?
2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one has a molecular weight of 177.12 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethyl)-1H-pyridin-4-one is sourced from PubChem (CID 123807226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).