1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one

C13H9BrF3NO3 — CID 89476025

IUPAC1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESO=c1cc(C(O)C(F)(F)F)n(-c2cccc(Br)c2)cc1O
InChIInChI=1S/C13H9BrF3NO3/c14-7-2-1-3-8(4-7)18-6-11(20)10(19)5-9(18)12(21)13(15,16)17/h1-6,12,20-21H
InChIKeyHODGYYIYIYKHED-UHFFFAOYSA-N
MW364.12 g/mol
LogP2.90
Rot. Bonds2

About 1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one

1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (PubChem CID 89476025) has the molecular formula C13H9BrF3NO3 and a molecular weight of 364.12 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
PubChem CID89476025
Molecular FormulaC13H9BrF3NO3
Molecular Weight364.12 g/mol
Exact Mass362.97
IUPAC Name1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one
SMILESO=c1cc(C(O)C(F)(F)F)n(-c2cccc(Br)c2)cc1O
InChIInChI=1S/C13H9BrF3NO3/c14-7-2-1-3-8(4-7)18-6-11(20)10(19)5-9(18)12(21)13(15,16)17/h1-6,12,20-21H
InChIKeyHODGYYIYIYKHED-UHFFFAOYSA-N
XLogP2.90
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.12
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The IUPAC name of 1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one (CID 89476025) is 1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one.
What is the SMILES notation for 1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The canonical SMILES for 1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is O=c1cc(C(O)C(F)(F)F)n(-c2cccc(Br)c2)cc1O.
What is the InChIKey of 1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
The InChIKey is HODGYYIYIYKHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO3/c14-7-2-1-3-8(4-7)18-6-11(20)10(19)5-9(18)12(21)13(15,16)17/h1-6,12,20-21H.
What are the key properties of 1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one?
1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one has a molecular weight of 364.12 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-hydroxy-2-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-4-one is sourced from PubChem (CID 89476025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).