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

C6H3BrF3NO2 — CID 130089370

IUPAC5-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1cc(OC(F)(F)F)c(Br)c[nH]1
InChIInChI=1S/C6H3BrF3NO2/c7-3-2-11-5(12)1-4(3)13-6(8,9)10/h1-2H,(H,11,12)
InChIKeyLTXGXBFIVMANRO-UHFFFAOYSA-N
MW257.99 g/mol
LogP2.04
Rot. Bonds1

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

5-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130089370) has the molecular formula C6H3BrF3NO2 and a molecular weight of 257.99 g/mol. Its IUPAC name is 5-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130089370
Molecular FormulaC6H3BrF3NO2
Molecular Weight257.99 g/mol
Exact Mass256.93
IUPAC Name5-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1cc(OC(F)(F)F)c(Br)c[nH]1
InChIInChI=1S/C6H3BrF3NO2/c7-3-2-11-5(12)1-4(3)13-6(8,9)10/h1-2H,(H,11,12)
InChIKeyLTXGXBFIVMANRO-UHFFFAOYSA-N
XLogP2.04
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.99
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one (CID 130089370) is 5-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one is O=c1cc(OC(F)(F)F)c(Br)c[nH]1.
What is the InChIKey of 5-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is LTXGXBFIVMANRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3NO2/c7-3-2-11-5(12)1-4(3)13-6(8,9)10/h1-2H,(H,11,12).
What are the key properties of 5-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one?
5-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 257.99 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130089370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).