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

C10H11F3N2O2 — CID 89495940

IUPAC3-morpholin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)(F)F)c1N1CCOCC1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7-1-2-14-9(16)8(7)15-3-5-17-6-4-15/h1-2H,3-6H2,(H,14,16)
InChIKeyZSTQSMXNCNCRSZ-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.23
Rot. Bonds1

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

3-morpholin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 89495940) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 3-morpholin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-morpholin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID89495940
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name3-morpholin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]ccc(C(F)(F)F)c1N1CCOCC1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7-1-2-14-9(16)8(7)15-3-5-17-6-4-15/h1-2H,3-6H2,(H,14,16)
InChIKeyZSTQSMXNCNCRSZ-UHFFFAOYSA-N
XLogP1.23
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-morpholin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 89495940) is 3-morpholin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-morpholin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-morpholin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]ccc(C(F)(F)F)c1N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is ZSTQSMXNCNCRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)7-1-2-14-9(16)8(7)15-3-5-17-6-4-15/h1-2H,3-6H2,(H,14,16).
What are the key properties of 3-morpholin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
3-morpholin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 248.20 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 89495940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).