5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one

C23H17BrFN3O2 — CID 66961791

IUPAC5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1C(c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H17BrFN3O2/c24-19-7-10-21(29)28(15-19)22(16-5-8-20(25)9-6-16)23(30,17-3-1-11-26-13-17)18-4-2-12-27-14-18/h1-15,22,30H
InChIKeyCQOXEJBAXGNWLB-UHFFFAOYSA-N
MW466.31 g/mol
LogP4.07
Rot. Bonds5

About 5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one

5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one (PubChem CID 66961791) has the molecular formula C23H17BrFN3O2 and a molecular weight of 466.31 g/mol. Its IUPAC name is 5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one
PubChem CID66961791
Molecular FormulaC23H17BrFN3O2
Molecular Weight466.31 g/mol
Exact Mass465.05
IUPAC Name5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1C(c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H17BrFN3O2/c24-19-7-10-21(29)28(15-19)22(16-5-8-20(25)9-6-16)23(30,17-3-1-11-26-13-17)18-4-2-12-27-14-18/h1-15,22,30H
InChIKeyCQOXEJBAXGNWLB-UHFFFAOYSA-N
XLogP4.07
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one (CID 66961791) is 5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one is O=c1ccc(Br)cn1C(c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of 5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one?
The InChIKey is CQOXEJBAXGNWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrFN3O2/c24-19-7-10-21(29)28(15-19)22(16-5-8-20(25)9-6-16)23(30,17-3-1-11-26-13-17)18-4-2-12-27-14-18/h1-15,22,30H.
What are the key properties of 5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one?
5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one has a molecular weight of 466.31 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one is sourced from PubChem (CID 66961791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).