4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one

C7H2BrF6NO2 — CID 118806028

IUPAC4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)c(Br)c1OC(F)(F)F
InChIInChI=1S/C7H2BrF6NO2/c8-3-2(6(9,10)11)1-15-5(16)4(3)17-7(12,13)14/h1H,(H,15,16)
InChIKeyRBDRBMLBKZGQFE-UHFFFAOYSA-N
MW325.99 g/mol
LogP3.05
Rot. Bonds1

About 4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one

4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 118806028) has the molecular formula C7H2BrF6NO2 and a molecular weight of 325.99 g/mol. Its IUPAC name is 4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID118806028
Molecular FormulaC7H2BrF6NO2
Molecular Weight325.99 g/mol
Exact Mass324.92
IUPAC Name4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)c(Br)c1OC(F)(F)F
InChIInChI=1S/C7H2BrF6NO2/c8-3-2(6(9,10)11)1-15-5(16)4(3)17-7(12,13)14/h1H,(H,15,16)
InChIKeyRBDRBMLBKZGQFE-UHFFFAOYSA-N
XLogP3.05
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.99
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 118025083
5-bromo-3-(difluoromethoxy)-4-methyl-1H-pyridin-2-one
CID 118025202
4-bromo-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonitrile
CID 118799979
4-Bromo-5-(difluoromethyl)pyridine-2,3-diol
CID 118800462
4-Bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118806030
4-Bromo-6-hydroxy-5-(trifluoromethoxy)nicotinoyl chloride
CID 118811675
4-Bromo-5-(difluoromethyl)-3-methoxypyridin-2-ol
CID 118811677
4-(Difluoromethyl)-5-methyl-3-(trifluoromethoxy)pyridin-2-ol
CID 118818112
4-(Difluoromethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridin-2-ol
CID 118818282
4-Fluoro-5-(difluoromethyl)-2-hydroxy-3-(trifluoromethoxy)pyridine
CID 118833182
4-Chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118833566
4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118834358

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one (CID 118806028) is 4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)F)c(Br)c1OC(F)(F)F.
What is the InChIKey of 4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is RBDRBMLBKZGQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF6NO2/c8-3-2(6(9,10)11)1-15-5(16)4(3)17-7(12,13)14/h1H,(H,15,16).
What are the key properties of 4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one?
4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 325.99 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 118806028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).