4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one

C8H9F3N2O — CID 13166300

IUPAC4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN(C)c1cc(C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C8H9F3N2O/c1-13(2)5-3-6(8(9,10)11)12-7(14)4-5/h3-4H,1-2H3,(H,12,14)
InChIKeyMUCSYZKQSTVBRF-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.46
Rot. Bonds1

About 4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one

4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 13166300) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID13166300
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one
SMILESCN(C)c1cc(C(F)(F)F)[nH]c(=O)c1
InChIInChI=1S/C8H9F3N2O/c1-13(2)5-3-6(8(9,10)11)12-7(14)4-5/h3-4H,1-2H3,(H,12,14)
InChIKeyMUCSYZKQSTVBRF-UHFFFAOYSA-N
XLogP1.46
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one (CID 13166300) is 4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one is CN(C)c1cc(C(F)(F)F)[nH]c(=O)c1.
What is the InChIKey of 4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is MUCSYZKQSTVBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-13(2)5-3-6(8(9,10)11)12-7(14)4-5/h3-4H,1-2H3,(H,12,14).
What are the key properties of 4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one?
4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 206.17 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-6-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 13166300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).