5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one

C9H10F3NO2 — CID 176690574

IUPAC5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(CCO)c(C(F)(F)F)cc1=O
InChIInChI=1S/C9H10F3NO2/c1-13-5-6(2-3-14)7(4-8(13)15)9(10,11)12/h4-5,14H,2-3H2,1H3
InChIKeyKSDLRHRHWHPMPU-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.94
Rot. Bonds2

About 5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one

5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 176690574) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID176690574
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one
SMILESCn1cc(CCO)c(C(F)(F)F)cc1=O
InChIInChI=1S/C9H10F3NO2/c1-13-5-6(2-3-14)7(4-8(13)15)9(10,11)12/h4-5,14H,2-3H2,1H3
InChIKeyKSDLRHRHWHPMPU-UHFFFAOYSA-N
XLogP0.94
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one (CID 176690574) is 5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one is Cn1cc(CCO)c(C(F)(F)F)cc1=O.
What is the InChIKey of 5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is KSDLRHRHWHPMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-13-5-6(2-3-14)7(4-8(13)15)9(10,11)12/h4-5,14H,2-3H2,1H3.
What are the key properties of 5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one?
5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 221.18 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-1-methyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 176690574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).