5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one

C10H13F3N2O — CID 139579857

IUPAC5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN(C)CCc1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-15(2)4-3-7-6-14-9(16)5-8(7)10(11,12)13/h5-6H,3-4H2,1-2H3,(H,14,16)
InChIKeyWNDJLDHLHODVHQ-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.50
Rot. Bonds3

About 5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one

5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 139579857) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID139579857
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN(C)CCc1c[nH]c(=O)cc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-15(2)4-3-7-6-14-9(16)5-8(7)10(11,12)13/h5-6H,3-4H2,1-2H3,(H,14,16)
InChIKeyWNDJLDHLHODVHQ-UHFFFAOYSA-N
XLogP1.50
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one (CID 139579857) is 5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one is CN(C)CCc1c[nH]c(=O)cc1C(F)(F)F.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is WNDJLDHLHODVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-15(2)4-3-7-6-14-9(16)5-8(7)10(11,12)13/h5-6H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 234.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 139579857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).