3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one

C7H6F3NO3 — CID 90346856

IUPAC3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(O)C(F)(F)F)c1O
InChIInChI=1S/C7H6F3NO3/c8-7(9,10)6(14)4-5(13)3(12)1-2-11-4/h1-2,6,13-14H,(H,11,12)
InChIKeyZHDLLFPZCNWIFH-UHFFFAOYSA-N
MW209.12 g/mol
LogP0.68
Rot. Bonds1

About 3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one

3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one (PubChem CID 90346856) has the molecular formula C7H6F3NO3 and a molecular weight of 209.12 g/mol. Its IUPAC name is 3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one
PubChem CID90346856
Molecular FormulaC7H6F3NO3
Molecular Weight209.12 g/mol
Exact Mass209.03
IUPAC Name3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(C(O)C(F)(F)F)c1O
InChIInChI=1S/C7H6F3NO3/c8-7(9,10)6(14)4-5(13)3(12)1-2-11-4/h1-2,6,13-14H,(H,11,12)
InChIKeyZHDLLFPZCNWIFH-UHFFFAOYSA-N
XLogP0.68
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one?
The IUPAC name of 3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one (CID 90346856) is 3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one is O=c1cc[nH]c(C(O)C(F)(F)F)c1O.
What is the InChIKey of 3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one?
The InChIKey is ZHDLLFPZCNWIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3/c8-7(9,10)6(14)4-5(13)3(12)1-2-11-4/h1-2,6,13-14H,(H,11,12).
What are the key properties of 3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one?
3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one has a molecular weight of 209.12 g/mol, XLogP of 0.68, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyridin-4-one is sourced from PubChem (CID 90346856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).