3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one

C13H11F3N2O — CID 117222163

IUPAC3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCn1cc(-c2ccc(C(F)(F)F)cc2)cc(N)c1=O
InChIInChI=1S/C13H11F3N2O/c1-18-7-9(6-11(17)12(18)19)8-2-4-10(5-3-8)13(14,15)16/h2-7H,17H2,1H3
InChIKeyBALIFDWSXFHTLI-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.65
Rot. Bonds1

About 3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one

3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one (PubChem CID 117222163) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one
PubChem CID117222163
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one
SMILESCn1cc(-c2ccc(C(F)(F)F)cc2)cc(N)c1=O
InChIInChI=1S/C13H11F3N2O/c1-18-7-9(6-11(17)12(18)19)8-2-4-10(5-3-8)13(14,15)16/h2-7H,17H2,1H3
InChIKeyBALIFDWSXFHTLI-UHFFFAOYSA-N
XLogP2.65
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The IUPAC name of 3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one (CID 117222163) is 3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one is Cn1cc(-c2ccc(C(F)(F)F)cc2)cc(N)c1=O.
What is the InChIKey of 3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one?
The InChIKey is BALIFDWSXFHTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-18-7-9(6-11(17)12(18)19)8-2-4-10(5-3-8)13(14,15)16/h2-7H,17H2,1H3.
What are the key properties of 3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one?
3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one has a molecular weight of 268.24 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-5-[4-(trifluoromethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 117222163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).