2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid

C20H15BrF3N3O5 — CID 117074116

IUPAC2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)C(O)c1ccc(Br)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H14BrN3O3.C2HF3O2/c19-14-3-1-12(2-4-14)16(23)18(25)22-15-9-13(10-21-17(15)24)11-5-7-20-8-6-11;3-2(4,5)1(6)7/h1-10,16,23H,(H,21,24)(H,22,25);(H,6,7)
InChIKeyWAETYJMQYVNCHX-UHFFFAOYSA-N
MW514.25 g/mol
LogP3.50
Rot. Bonds4

About 2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid

2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 117074116) has the molecular formula C20H15BrF3N3O5 and a molecular weight of 514.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID117074116
Molecular FormulaC20H15BrF3N3O5
Molecular Weight514.25 g/mol
Exact Mass513.01
IUPAC Name2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1cc(-c2ccncc2)c[nH]c1=O)C(O)c1ccc(Br)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H14BrN3O3.C2HF3O2/c19-14-3-1-12(2-4-14)16(23)18(25)22-15-9-13(10-21-17(15)24)11-5-7-20-8-6-11;3-2(4,5)1(6)7/h1-10,16,23H,(H,21,24)(H,22,25);(H,6,7)
InChIKeyWAETYJMQYVNCHX-UHFFFAOYSA-N
XLogP3.50
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.25
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid (CID 117074116) is 2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid is O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)C(O)c1ccc(Br)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is WAETYJMQYVNCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O3.C2HF3O2/c19-14-3-1-12(2-4-14)16(23)18(25)22-15-9-13(10-21-17(15)24)11-5-7-20-8-6-11;3-2(4,5)1(6)7/h1-10,16,23H,(H,21,24)(H,22,25);(H,6,7).
What are the key properties of 2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid?
2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 514.25 g/mol, XLogP of 3.50, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-hydroxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117074116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).