5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one

C8H8BrF3N2O — CID 104505641

IUPAC5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCc1c(N)cn(CC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C8H8BrF3N2O/c1-4-5(13)2-14(3-8(10,11)12)7(15)6(4)9/h2H,3,13H2,1H3
InChIKeyWYTZMIGFKLDIPI-UHFFFAOYSA-N
MW285.06 g/mol
LogP2.06
Rot. Bonds1

About 5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one

5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 104505641) has the molecular formula C8H8BrF3N2O and a molecular weight of 285.06 g/mol. Its IUPAC name is 5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID104505641
Molecular FormulaC8H8BrF3N2O
Molecular Weight285.06 g/mol
Exact Mass283.98
IUPAC Name5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCc1c(N)cn(CC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C8H8BrF3N2O/c1-4-5(13)2-14(3-8(10,11)12)7(15)6(4)9/h2H,3,13H2,1H3
InChIKeyWYTZMIGFKLDIPI-UHFFFAOYSA-N
XLogP2.06
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 104505641) is 5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one is Cc1c(N)cn(CC(F)(F)F)c(=O)c1Br.
What is the InChIKey of 5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is WYTZMIGFKLDIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O/c1-4-5(13)2-14(3-8(10,11)12)7(15)6(4)9/h2H,3,13H2,1H3.
What are the key properties of 5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 285.06 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-4-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 104505641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).