5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one

C13H17F3N2O2 — CID 178111716

IUPAC5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOCC1CN(CCc2c[nH]c(=O)cc2C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2O2/c1-20-8-9-6-18(7-9)3-2-10-5-17-12(19)4-11(10)13(14,15)16/h4-5,9H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyKXTRZEGCOQJHLU-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.51
Rot. Bonds5

About 5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one

5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 178111716) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID178111716
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCOCC1CN(CCc2c[nH]c(=O)cc2C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2O2/c1-20-8-9-6-18(7-9)3-2-10-5-17-12(19)4-11(10)13(14,15)16/h4-5,9H,2-3,6-8H2,1H3,(H,17,19)
InChIKeyKXTRZEGCOQJHLU-UHFFFAOYSA-N
XLogP1.51
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-methyl-1H-pyridin-2-one
CID 139579678
5-[2-(azetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 156277636
5-[2-[3-(Methoxymethyl)azetidin-1-yl]ethyl]-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one
CID 169995592
5-[2-[3-(Methoxymethyl)azetidin-1-yl]ethyl]-1-methyl-4-(trifluoromethyl)pyridin-2-one
CID 169996321
5-[3-(azetidin-1-yl)propyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 171825625
5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 171825936
5-[2-(3,3-difluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 171826123
5-[2-(3-fluoroazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one;fluoroethene
CID 171826350
5-[2-[ethyl(methyl)amino]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 172281477
5-[2-(3-methoxyazetidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 172281622
5-[2-(diethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
CID 172281893
5-[2-(3-Methoxyazetidin-1-yl)ethyl]-1-[2-(methylamino)ethyl]-4-(trifluoromethyl)pyridin-2-one
CID 176690693

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one (CID 178111716) is 5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one is COCC1CN(CCc2c[nH]c(=O)cc2C(F)(F)F)C1.
What is the InChIKey of 5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is KXTRZEGCOQJHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-20-8-9-6-18(7-9)3-2-10-5-17-12(19)4-11(10)13(14,15)16/h4-5,9H,2-3,6-8H2,1H3,(H,17,19).
What are the key properties of 5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 290.28 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(methoxymethyl)azetidin-1-yl]ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 178111716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).