1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one

C11H13F3N2O2 — CID 90397023

IUPAC1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
SMILESCn1ccc(C(F)(F)F)c(N2CCOCC2)c1=O
InChIInChI=1S/C11H13F3N2O2/c1-15-3-2-8(11(12,13)14)9(10(15)17)16-4-6-18-7-5-16/h2-3H,4-7H2,1H3
InChIKeyZCCREZCHLSPWKC-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.24
Rot. Bonds1

About 1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one

1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 90397023) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
PubChem CID90397023
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one
SMILESCn1ccc(C(F)(F)F)c(N2CCOCC2)c1=O
InChIInChI=1S/C11H13F3N2O2/c1-15-3-2-8(11(12,13)14)9(10(15)17)16-4-6-18-7-5-16/h2-3H,4-7H2,1H3
InChIKeyZCCREZCHLSPWKC-UHFFFAOYSA-N
XLogP1.24
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one (CID 90397023) is 1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one is Cn1ccc(C(F)(F)F)c(N2CCOCC2)c1=O.
What is the InChIKey of 1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is ZCCREZCHLSPWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-15-3-2-8(11(12,13)14)9(10(15)17)16-4-6-18-7-5-16/h2-3H,4-7H2,1H3.
What are the key properties of 1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one?
1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 262.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 90397023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).