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

C6H4F3NO4 — CID 130094420

IUPAC3,4-dihydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)c(O)c1O
InChIInChI=1S/C6H4F3NO4/c7-6(8,9)14-2-1-10-5(13)4(12)3(2)11/h1,12H,(H2,10,11,13)
InChIKeyFSBANBBGDLFIAZ-UHFFFAOYSA-N
MW211.09 g/mol
LogP0.68
Rot. Bonds1

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

3,4-dihydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130094420) has the molecular formula C6H4F3NO4 and a molecular weight of 211.09 g/mol. Its IUPAC name is 3,4-dihydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130094420
Molecular FormulaC6H4F3NO4
Molecular Weight211.09 g/mol
Exact Mass211.01
IUPAC Name3,4-dihydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]cc(OC(F)(F)F)c(O)c1O
InChIInChI=1S/C6H4F3NO4/c7-6(8,9)14-2-1-10-5(13)4(12)3(2)11/h1,12H,(H2,10,11,13)
InChIKeyFSBANBBGDLFIAZ-UHFFFAOYSA-N
XLogP0.68
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 3,4-dihydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 130094420) is 3,4-dihydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 3,4-dihydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 3,4-dihydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]cc(OC(F)(F)F)c(O)c1O.
What is the InChIKey of 3,4-dihydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is FSBANBBGDLFIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO4/c7-6(8,9)14-2-1-10-5(13)4(12)3(2)11/h1,12H,(H2,10,11,13).
What are the key properties of 3,4-dihydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
3,4-dihydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 211.09 g/mol, XLogP of 0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130094420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).