4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one

C6H2Br2F3NO2 — CID 118834358

IUPAC4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(Br)c1OC(F)(F)F
InChIInChI=1S/C6H2Br2F3NO2/c7-2-1-12-5(13)4(3(2)8)14-6(9,10)11/h1H,(H,12,13)
InChIKeyHZWYZDGEMPCVAN-UHFFFAOYSA-N
MW336.89 g/mol
LogP2.80
Rot. Bonds1

About 4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one

4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 118834358) has the molecular formula C6H2Br2F3NO2 and a molecular weight of 336.89 g/mol. Its IUPAC name is 4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID118834358
Molecular FormulaC6H2Br2F3NO2
Molecular Weight336.89 g/mol
Exact Mass334.84
IUPAC Name4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)c(Br)c1OC(F)(F)F
InChIInChI=1S/C6H2Br2F3NO2/c7-2-1-12-5(13)4(3(2)8)14-6(9,10)11/h1H,(H,12,13)
InChIKeyHZWYZDGEMPCVAN-UHFFFAOYSA-N
XLogP2.80
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.89
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 118834358) is 4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(Br)c(Br)c1OC(F)(F)F.
What is the InChIKey of 4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is HZWYZDGEMPCVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2F3NO2/c7-2-1-12-5(13)4(3(2)8)14-6(9,10)11/h1H,(H,12,13).
What are the key properties of 4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one?
4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 336.89 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 118834358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).