5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one

C9H9BrF3NO — CID 163557557

IUPAC5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)c(C(F)(F)F)cc1Br
InChIInChI=1S/C9H9BrF3NO/c1-4(2)7-6(10)3-5(8(15)14-7)9(11,12)13/h3-4H,1-2H3,(H,14,15)
InChIKeyFOKPOBSJJYUGFE-UHFFFAOYSA-N
MW284.08 g/mol
LogP3.28
Rot. Bonds1

About 5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one

5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 163557557) has the molecular formula C9H9BrF3NO and a molecular weight of 284.08 g/mol. Its IUPAC name is 5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID163557557
Molecular FormulaC9H9BrF3NO
Molecular Weight284.08 g/mol
Exact Mass282.98
IUPAC Name5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)c(C(F)(F)F)cc1Br
InChIInChI=1S/C9H9BrF3NO/c1-4(2)7-6(10)3-5(8(15)14-7)9(11,12)13/h3-4H,1-2H3,(H,14,15)
InChIKeyFOKPOBSJJYUGFE-UHFFFAOYSA-N
XLogP3.28
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one (CID 163557557) is 5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one is CC(C)c1[nH]c(=O)c(C(F)(F)F)cc1Br.
What is the InChIKey of 5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is FOKPOBSJJYUGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO/c1-4(2)7-6(10)3-5(8(15)14-7)9(11,12)13/h3-4H,1-2H3,(H,14,15).
What are the key properties of 5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 284.08 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-propan-2-yl-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 163557557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).