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

C6H3BrF3NO2 — CID 127264524

IUPAC3-bromo-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)cc1Br
InChIInChI=1S/C6H3BrF3NO2/c7-4-1-3(2-11-5(4)12)13-6(8,9)10/h1-2H,(H,11,12)
InChIKeyXYJFVVJTOWOLBT-UHFFFAOYSA-N
MW257.99 g/mol
LogP2.04
Rot. Bonds1

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

3-bromo-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 127264524) has the molecular formula C6H3BrF3NO2 and a molecular weight of 257.99 g/mol. Its IUPAC name is 3-bromo-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID127264524
Molecular FormulaC6H3BrF3NO2
Molecular Weight257.99 g/mol
Exact Mass256.93
IUPAC Name3-bromo-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)cc1Br
InChIInChI=1S/C6H3BrF3NO2/c7-4-1-3(2-11-5(4)12)13-6(8,9)10/h1-2H,(H,11,12)
InChIKeyXYJFVVJTOWOLBT-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-(difluoromethoxy)pyridin-2(1H)-one
CID 14665037
3-Fluoro-5-(1,1,2,2-tetrafluoroethoxy)-2-pyridinol
CID 14837014
3-fluoro-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 90752796
5-(Trifluoromethoxy)pyridin-2-ol
CID 91256805
5-Bromo-4-(difluoromethoxy)pyridin-2-ol
CID 133060438
3-bromo-5-(2-chloro-1,1,2-trifluoroethoxy)-1H-pyridin-2-one
CID 14665043
4-bromo-3-iodo-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 118805807
4-Bromo-5-(trifluoromethoxy)pyridin-2-ol
CID 118817120
5-Bromo-4-(trifluoromethoxy)pyridin-2-ol
CID 130089370
3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 130093616
3-Bromo-5-methoxy-1H-pyridin-2-one
CID 74891310

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 3-bromo-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 127264524) is 3-bromo-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-5-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(OC(F)(F)F)cc1Br.
What is the InChIKey of 3-bromo-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is XYJFVVJTOWOLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3NO2/c7-4-1-3(2-11-5(4)12)13-6(8,9)10/h1-2H,(H,11,12).
What are the key properties of 3-bromo-5-(trifluoromethoxy)-1H-pyridin-2-one?
3-bromo-5-(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 3-bromo-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 127264524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).