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

C9H10BrF3N2O — CID 104505753

IUPAC5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one
SMILESCc1c(N)cn(CCC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C9H10BrF3N2O/c1-5-6(14)4-15(8(16)7(5)10)3-2-9(11,12)13/h4H,2-3,14H2,1H3
InChIKeyBKFXIKPNNNZXRR-UHFFFAOYSA-N
MW299.09 g/mol
LogP2.45
Rot. Bonds2

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

5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one (PubChem CID 104505753) has the molecular formula C9H10BrF3N2O and a molecular weight of 299.09 g/mol. Its IUPAC name is 5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one
PubChem CID104505753
Molecular FormulaC9H10BrF3N2O
Molecular Weight299.09 g/mol
Exact Mass297.99
IUPAC Name5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one
SMILESCc1c(N)cn(CCC(F)(F)F)c(=O)c1Br
InChIInChI=1S/C9H10BrF3N2O/c1-5-6(14)4-15(8(16)7(5)10)3-2-9(11,12)13/h4H,2-3,14H2,1H3
InChIKeyBKFXIKPNNNZXRR-UHFFFAOYSA-N
XLogP2.45
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 52.45
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-(3,3,3-trifluoropropyl)pyridin-2-one?
The IUPAC name of 5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one (CID 104505753) is 5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one.
What is the SMILES notation for 5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The canonical SMILES for 5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one is Cc1c(N)cn(CCC(F)(F)F)c(=O)c1Br.
What is the InChIKey of 5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one?
The InChIKey is BKFXIKPNNNZXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF3N2O/c1-5-6(14)4-15(8(16)7(5)10)3-2-9(11,12)13/h4H,2-3,14H2,1H3.
What are the key properties of 5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one?
5-amino-3-bromo-4-methyl-1-(3,3,3-trifluoropropyl)pyridin-2-one has a molecular weight of 299.09 g/mol, XLogP of 2.45, 2 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-(3,3,3-trifluoropropyl)pyridin-2-one is sourced from PubChem (CID 104505753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).