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

C6H3BrF3NO2 — CID 130089369

IUPAC5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1OC(F)(F)F
InChIInChI=1S/C6H3BrF3NO2/c7-3-1-4(5(12)11-2-3)13-6(8,9)10/h1-2H,(H,11,12)
InChIKeyLTMNHWVEYDQQOY-UHFFFAOYSA-N
MW257.99 g/mol
LogP2.04
Rot. Bonds1

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

5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130089369) has the molecular formula C6H3BrF3NO2 and a molecular weight of 257.99 g/mol. Its IUPAC name is 5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130089369
Molecular FormulaC6H3BrF3NO2
Molecular Weight257.99 g/mol
Exact Mass256.93
IUPAC Name5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(Br)cc1OC(F)(F)F
InChIInChI=1S/C6H3BrF3NO2/c7-3-1-4(5(12)11-2-3)13-6(8,9)10/h1-2H,(H,11,12)
InChIKeyLTMNHWVEYDQQOY-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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Related Compounds

5-Bromo-3-methoxypyridin-2(1H)-one
CID 70701126
5-Bromo-3-(difluoromethoxy)pyridin-2-ol
CID 66617441
3-(Difluoromethoxy)pyridin-2-ol
CID 66617507
5-Bromo-3-(difluoromethoxy)-1-methylpyridin-2-one
CID 118022074
3-(Trifluoromethoxy)pyridin-2-OL
CID 130088832
5-fluoro-3-methoxy-1H-pyridin-2-one
CID 130840624
5-fluoro-3-(2,2,2-trifluoroethoxy)-1H-pyridin-2-one
CID 178804171
4-Bromo-5-(difluoromethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118806030
4,5-dibromo-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118834358
5-chloro-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130089687
5-(bromomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130092833
(5-bromo-2-oxo-1H-pyridin-3-yl) hypochlorite
CID 70450589

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one (CID 130089369) is 5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(Br)cc1OC(F)(F)F.
What is the InChIKey of 5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is LTMNHWVEYDQQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3NO2/c7-3-1-4(5(12)11-2-3)13-6(8,9)10/h1-2H,(H,11,12).
What are the key properties of 5-bromo-3-(trifluoromethoxy)-1H-pyridin-2-one?
5-bromo-3-(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-3-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130089369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).