5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one

C9H10F3NO2 — CID 171825637

IUPAC5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOCCc1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-15-3-2-6-5-13-8(14)4-7(6)9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyWCOZTITWWIUPNE-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.58
Rot. Bonds3

About 5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one

5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 171825637) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID171825637
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOCCc1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C9H10F3NO2/c1-15-3-2-6-5-13-8(14)4-7(6)9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14)
InChIKeyWCOZTITWWIUPNE-UHFFFAOYSA-N
XLogP1.58
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 119086696
5-(3-fluorooxetan-3-yl)-1H-pyridin-2-one
CID 137506751
5-fluoro-4-(3-hydroxypropyl)-1H-pyridin-2-one
CID 172299820
5-prop-2-enyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 176154186
5-(2-hydroxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 176690579
methyl 2-(4-fluoro-6-oxo-1H-pyridin-3-yl)acetate
CID 130784473
methyl 2-(5-fluoro-2-oxo-1H-pyridin-4-yl)acetate
CID 131096569
methyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133093230
methyl 2-[5-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetate
CID 133093236
ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133093260
ethyl 2-[5-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetate
CID 133093266
ethyl 2-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]acetate
CID 133096512

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 171825637) is 5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one is COCCc1c[nH]c(=O)cc1C(F)(F)F.
What is the InChIKey of 5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is WCOZTITWWIUPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c1-15-3-2-6-5-13-8(14)4-7(6)9(10,11)12/h4-5H,2-3H2,1H3,(H,13,14).
What are the key properties of 5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 221.18 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 171825637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).