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

C6H3BrF3NO3 — CID 130971505

IUPAC4-bromo-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)c(Br)c1O
InChIInChI=1S/C6H3BrF3NO3/c7-3-2(14-6(8,9)10)1-11-5(13)4(3)12/h1,12H,(H,11,13)
InChIKeyFQPFSORGXDKPGF-UHFFFAOYSA-N
MW273.99 g/mol
LogP1.74
Rot. Bonds1

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

4-bromo-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130971505) has the molecular formula C6H3BrF3NO3 and a molecular weight of 273.99 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-bromo-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130971505
Molecular FormulaC6H3BrF3NO3
Molecular Weight273.99 g/mol
Exact Mass272.92
IUPAC Name4-bromo-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)c(Br)c1O
InChIInChI=1S/C6H3BrF3NO3/c7-3-2(14-6(8,9)10)1-11-5(13)4(3)12/h1,12H,(H,11,13)
InChIKeyFQPFSORGXDKPGF-UHFFFAOYSA-N
XLogP1.74
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.99
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 4-bromo-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 130971505) is 4-bromo-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-bromo-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-bromo-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(OC(F)(F)F)c(Br)c1O.
What is the InChIKey of 4-bromo-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is FQPFSORGXDKPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF3NO3/c7-3-2(14-6(8,9)10)1-11-5(13)4(3)12/h1,12H,(H,11,13).
What are the key properties of 4-bromo-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
4-bromo-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 273.99 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130971505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).