3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one

C10H12F3NO — CID 134419157

IUPAC3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
SMILESCCc1c(C(F)(F)F)cc(C)n(C)c1=O
InChIInChI=1S/C10H12F3NO/c1-4-7-8(10(11,12)13)5-6(2)14(3)9(7)15/h5H,4H2,1-3H3
InChIKeyCGWVSEPDAOCYEP-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.27
Rot. Bonds1

About 3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one

3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 134419157) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID134419157
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
SMILESCCc1c(C(F)(F)F)cc(C)n(C)c1=O
InChIInChI=1S/C10H12F3NO/c1-4-7-8(10(11,12)13)5-6(2)14(3)9(7)15/h5H,4H2,1-3H3
InChIKeyCGWVSEPDAOCYEP-UHFFFAOYSA-N
XLogP2.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one (CID 134419157) is 3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one is CCc1c(C(F)(F)F)cc(C)n(C)c1=O.
What is the InChIKey of 3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is CGWVSEPDAOCYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-4-7-8(10(11,12)13)5-6(2)14(3)9(7)15/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one?
3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 219.21 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 134419157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).