1-(methylamino)-3-(trifluoromethyl)pyridin-2-one

C7H7F3N2O — CID 139440695

IUPAC1-(methylamino)-3-(trifluoromethyl)pyridin-2-one
SMILESCNn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C7H7F3N2O/c1-11-12-4-2-3-5(6(12)13)7(8,9)10/h2-4,11H,1H3
InChIKeyYSSNSJGSFJUFNE-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.04
Rot. Bonds1

About 1-(methylamino)-3-(trifluoromethyl)pyridin-2-one

1-(methylamino)-3-(trifluoromethyl)pyridin-2-one (PubChem CID 139440695) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-(methylamino)-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(methylamino)-3-(trifluoromethyl)pyridin-2-one
PubChem CID139440695
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1-(methylamino)-3-(trifluoromethyl)pyridin-2-one
SMILESCNn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C7H7F3N2O/c1-11-12-4-2-3-5(6(12)13)7(8,9)10/h2-4,11H,1H3
InChIKeyYSSNSJGSFJUFNE-UHFFFAOYSA-N
XLogP1.04
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(methylamino)-4-(trifluoromethyl)pyridin-2-one
CID 152517792
1-(difluoromethoxy)-3-(trifluoromethyl)pyridin-2-one
CID 135362723
1-[6-(methylamino)-3-pyridinyl]-3-(trifluoromethyl)pyridin-2-one
CID 138648730
1-(2-chloroethyl)-3-(trifluoromethyl)pyridin-2-one
CID 134573960
3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 154630724
2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 157425844
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-pentan-2-ylacetamide
CID 47020753
N-(3-hydroxybutyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111429139
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 111542957
2-methyl-2-[2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]propanenitrile
CID 71915316
1-methyl-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)pyridin-2-one
CID 10911161
2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 31700678

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(methylamino)-3-(trifluoromethyl)pyridin-2-one (CID 139440695) is 1-(methylamino)-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(methylamino)-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(methylamino)-3-(trifluoromethyl)pyridin-2-one is CNn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of 1-(methylamino)-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is YSSNSJGSFJUFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c1-11-12-4-2-3-5(6(12)13)7(8,9)10/h2-4,11H,1H3.
What are the key properties of 1-(methylamino)-3-(trifluoromethyl)pyridin-2-one?
1-(methylamino)-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 192.14 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 139440695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).