3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one

C8H5BrN2OS — CID 2801709

IUPAC3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(Br)s2)n[nH]1
InChIInChI=1S/C8H5BrN2OS/c9-7-3-2-6(13-7)5-1-4-8(12)11-10-5/h1-4H,(H,11,12)
InChIKeyVTVDIPYOXPUUIW-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.26
Rot. Bonds1

About 3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one

3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one (PubChem CID 2801709) has the molecular formula C8H5BrN2OS and a molecular weight of 257.11 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one
PubChem CID2801709
Molecular FormulaC8H5BrN2OS
Molecular Weight257.11 g/mol
Exact Mass255.93
IUPAC Name3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(Br)s2)n[nH]1
InChIInChI=1S/C8H5BrN2OS/c9-7-3-2-6(13-7)5-1-4-8(12)11-10-5/h1-4H,(H,11,12)
InChIKeyVTVDIPYOXPUUIW-UHFFFAOYSA-N
XLogP2.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one (CID 2801709) is 3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one is O=c1ccc(-c2ccc(Br)s2)n[nH]1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one?
The InChIKey is VTVDIPYOXPUUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2OS/c9-7-3-2-6(13-7)5-1-4-8(12)11-10-5/h1-4H,(H,11,12).
What are the key properties of 3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one?
3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one has a molecular weight of 257.11 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 2801709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).