5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane

C9H11ClF3NO — CID 143933051

IUPAC5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane
SMILESCC.Cc1cc(Cl)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H5ClF3NO.C2H6/c1-3-2-4(8)5(7(9,10)11)12-6(3)13;1-2/h2H,1H3,(H,12,13);1-2H3
InChIKeyAKFGDHQSLWTQTP-UHFFFAOYSA-N
MW241.64 g/mol
LogP3.38
Rot. Bonds

About 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane

5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane (PubChem CID 143933051) has the molecular formula C9H11ClF3NO and a molecular weight of 241.64 g/mol. Its IUPAC name is 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane
PubChem CID143933051
Molecular FormulaC9H11ClF3NO
Molecular Weight241.64 g/mol
Exact Mass241.05
IUPAC Name5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane
SMILESCC.Cc1cc(Cl)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H5ClF3NO.C2H6/c1-3-2-4(8)5(7(9,10)11)12-6(3)13;1-2/h2H,1H3,(H,12,13);1-2H3
InChIKeyAKFGDHQSLWTQTP-UHFFFAOYSA-N
XLogP3.38
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane?
The IUPAC name of 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane (CID 143933051) is 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane.
What is the SMILES notation for 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane?
The canonical SMILES for 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane is CC.Cc1cc(Cl)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane?
The InChIKey is AKFGDHQSLWTQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO.C2H6/c1-3-2-4(8)5(7(9,10)11)12-6(3)13;1-2/h2H,1H3,(H,12,13);1-2H3.
What are the key properties of 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane?
5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane has a molecular weight of 241.64 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;ethane is sourced from PubChem (CID 143933051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).