2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

C8H6Br2F3N3O2 — CID 31523139

IUPAC2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ncc(Br)c(Br)c1=O)NCC(F)(F)F
InChIInChI=1S/C8H6Br2F3N3O2/c9-4-1-15-16(7(18)6(4)10)2-5(17)14-3-8(11,12)13/h1H,2-3H2,(H,14,17)
InChIKeyVKPQWXLNAXAYST-UHFFFAOYSA-N
MW392.96 g/mol
LogP1.45
Rot. Bonds3

About 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 31523139) has the molecular formula C8H6Br2F3N3O2 and a molecular weight of 392.96 g/mol. Its IUPAC name is 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID31523139
Molecular FormulaC8H6Br2F3N3O2
Molecular Weight392.96 g/mol
Exact Mass390.88
IUPAC Name2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1ncc(Br)c(Br)c1=O)NCC(F)(F)F
InChIInChI=1S/C8H6Br2F3N3O2/c9-4-1-15-16(7(18)6(4)10)2-5(17)14-3-8(11,12)13/h1H,2-3H2,(H,14,17)
InChIKeyVKPQWXLNAXAYST-UHFFFAOYSA-N
XLogP1.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.96
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 31523139) is 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1ncc(Br)c(Br)c1=O)NCC(F)(F)F.
What is the InChIKey of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VKPQWXLNAXAYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2F3N3O2/c9-4-1-15-16(7(18)6(4)10)2-5(17)14-3-8(11,12)13/h1H,2-3H2,(H,14,17).
What are the key properties of 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 392.96 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromo-6-oxopyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 31523139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).