1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one

C11H13F3N2O — CID 171994631

IUPAC1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one
SMILESCn1ccc(CN2CC(C(F)(F)F)C2)cc1=O
InChIInChI=1S/C11H13F3N2O/c1-15-3-2-8(4-10(15)17)5-16-6-9(7-16)11(12,13)14/h2-4,9H,5-7H2,1H3
InChIKeyFXIXTNFMCJDSEC-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.38
Rot. Bonds2

About 1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one

1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one (PubChem CID 171994631) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one
PubChem CID171994631
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one
SMILESCn1ccc(CN2CC(C(F)(F)F)C2)cc1=O
InChIInChI=1S/C11H13F3N2O/c1-15-3-2-8(4-10(15)17)5-16-6-9(7-16)11(12,13)14/h2-4,9H,5-7H2,1H3
InChIKeyFXIXTNFMCJDSEC-UHFFFAOYSA-N
XLogP1.38
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one (CID 171994631) is 1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one is Cn1ccc(CN2CC(C(F)(F)F)C2)cc1=O.
What is the InChIKey of 1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one?
The InChIKey is FXIXTNFMCJDSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-15-3-2-8(4-10(15)17)5-16-6-9(7-16)11(12,13)14/h2-4,9H,5-7H2,1H3.
What are the key properties of 1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one?
1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one has a molecular weight of 246.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[3-(trifluoromethyl)azetidin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 171994631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).