3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one

C12H8ClF3N2O2 — CID 2767100

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H8ClF3N2O2/c1-6-10(9(19)2-3-17-6)20-11-8(13)4-7(5-18-11)12(14,15)16/h2-5H,1H3,(H,17,19)
InChIKeyXEUYAJTYYDXIDJ-UHFFFAOYSA-N
MW304.66 g/mol
LogP3.54
Rot. Bonds2

About 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one (PubChem CID 2767100) has the molecular formula C12H8ClF3N2O2 and a molecular weight of 304.66 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one
PubChem CID2767100
Molecular FormulaC12H8ClF3N2O2
Molecular Weight304.66 g/mol
Exact Mass304.02
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H8ClF3N2O2/c1-6-10(9(19)2-3-17-6)20-11-8(13)4-7(5-18-11)12(14,15)16/h2-5H,1H3,(H,17,19)
InChIKeyXEUYAJTYYDXIDJ-UHFFFAOYSA-N
XLogP3.54
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.66
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-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

2-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)aniline
CID 2773892
2-(2-Chloroacetyl)-3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)acrylonitrile
CID 1480366
5-Bromo-3-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)-2-methyl-4(1H)-pyridinone
CID 2767135
3-Chloro-2-(propan-2-yloxy)-5-(trifluoromethyl)pyridine
CID 2386954
4-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}aniline
CID 2764116
3-{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}propan-1-amine
CID 13604415
2-(2-Aminoethoxy)-3-chloro-5-(trifluoromethyl)pyridine
CID 54595060
2-(2-Aminoethoxy)-3-chloro-5-(trifluoromethyl)pyridine hydrochloride
CID 54595059
3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)propan-1-amine hydrochloride
CID 71757347
1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)-2-methylpropan-2-amine hydrochloride
CID 71757688
3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-2-methyl-4H-pyran-4-one
CID 2767093
3-(4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-cyano-2-butenamide
CID 2767253

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one (CID 2767100) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1Oc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one?
The InChIKey is XEUYAJTYYDXIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O2/c1-6-10(9(19)2-3-17-6)20-11-8(13)4-7(5-18-11)12(14,15)16/h2-5H,1H3,(H,17,19).
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one has a molecular weight of 304.66 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 2767100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).