5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one

C11H14F3NO — CID 90064732

IUPAC5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(=O)n(CC(C)C)c1
InChIInChI=1S/C11H14F3NO/c1-7(2)5-15-6-8(3)4-9(10(15)16)11(12,13)14/h4,6-7H,5H2,1-3H3
InChIKeyZREQPCQDDQANKY-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.83
Rot. Bonds2

About 5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one

5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one (PubChem CID 90064732) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
PubChem CID90064732
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(=O)n(CC(C)C)c1
InChIInChI=1S/C11H14F3NO/c1-7(2)5-15-6-8(3)4-9(10(15)16)11(12,13)14/h4,6-7H,5H2,1-3H3
InChIKeyZREQPCQDDQANKY-UHFFFAOYSA-N
XLogP2.83
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)propanenitrile
CID 2736732
2(1H)-Pyridinone, 1-methyl-5-(trifluoromethyl)-
CID 4534802
1-(3,3,3-Trifluoro-1-pentafluoroethyl-2-trifluorometh-ylpropenyl)-1h-pyridin-2-one
CID 12726242
5-Ethyl-1-propylpyridin-2-one
CID 13169254
1-[(1-Methyl-2-oxopyridin-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 53530146
1-(2-Oxopropyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 60643006
1-(Cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84584960
(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
(Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)pent-2-enamide
CID 15399695
2-[3-Fluoro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetonitrile
CID 14836975
2-[3-Methyl-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetonitrile
CID 14836978
1-(Cyanomethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 14836981

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one (CID 90064732) is 5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one is Cc1cc(C(F)(F)F)c(=O)n(CC(C)C)c1.
What is the InChIKey of 5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZREQPCQDDQANKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7(2)5-15-6-8(3)4-9(10(15)16)11(12,13)14/h4,6-7H,5H2,1-3H3.
What are the key properties of 5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one?
5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 233.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 90064732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).