1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one

C8H8F3NO — CID 15836686

IUPAC1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one
SMILESCc1cn(C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C8H8F3NO/c1-5-4-12(2)7(3-6(5)13)8(9,10)11/h3-4H,1-2H3
InChIKeySKXDDRAGHCZNNC-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.71
Rot. Bonds

About 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one

1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one (PubChem CID 15836686) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one.

Molecular Properties

Compound Name1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one
PubChem CID15836686
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one
SMILESCc1cn(C)c(C(F)(F)F)cc1=O
InChIInChI=1S/C8H8F3NO/c1-5-4-12(2)7(3-6(5)13)8(9,10)11/h3-4H,1-2H3
InChIKeySKXDDRAGHCZNNC-UHFFFAOYSA-N
XLogP1.71
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.71
H-Bond Donors ≤ 50
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
1,2,5-Trimethylpyridin-4-one
CID 20671440
1-Methyl-2-(trifluoromethyl)-1,4-dihydropyridin-4-one
CID 55264879
3-Methyl-4-(trifluoromethyl)quinolizin-2-one
CID 59283993
6-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-indolizin-7-one
CID 59284024
2-(Difluoromethyl)-1,5-dimethylpyridin-4-one
CID 59818294
2-(Fluoromethyl)-1,5-dimethylpyridin-4-one
CID 59818303
1,5-Dimethyl-2-(2,2,2-trifluoroethyl)pyridin-4-one
CID 68223764
1,2,3-Trimethyl-6-(2,2,2-trifluoroethyl)pyridin-4-one
CID 68223766
2-ethyl-3-(trifluoromethyl)-1H-pyridin-4-one
CID 68387638
2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyridin-4-one
CID 70935168

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one?
The IUPAC name of 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one (CID 15836686) is 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one.
What is the SMILES notation for 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one?
The canonical SMILES for 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one is Cc1cn(C)c(C(F)(F)F)cc1=O.
What is the InChIKey of 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one?
The InChIKey is SKXDDRAGHCZNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-5-4-12(2)7(3-6(5)13)8(9,10)11/h3-4H,1-2H3.
What are the key properties of 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one?
1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one has a molecular weight of 191.15 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-(trifluoromethyl)pyridin-4-one is sourced from PubChem (CID 15836686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).