3-(4-bromothiophen-3-yl)-6-chloropyridazine

C8H4BrClN2S — CID 79601682

IUPAC3-(4-bromothiophen-3-yl)-6-chloropyridazine
SMILESClc1ccc(-c2cscc2Br)nn1
InChIInChI=1S/C8H4BrClN2S/c9-6-4-13-3-5(6)7-1-2-8(10)12-11-7/h1-4H
InChIKeyXSSDEJYHCVDWQJ-UHFFFAOYSA-N
MW275.56 g/mol
LogP3.62
Rot. Bonds1

About 3-(4-bromothiophen-3-yl)-6-chloropyridazine

3-(4-bromothiophen-3-yl)-6-chloropyridazine (PubChem CID 79601682) has the molecular formula C8H4BrClN2S and a molecular weight of 275.56 g/mol. Its IUPAC name is 3-(4-bromothiophen-3-yl)-6-chloropyridazine.

Molecular Properties

Compound Name3-(4-bromothiophen-3-yl)-6-chloropyridazine
PubChem CID79601682
Molecular FormulaC8H4BrClN2S
Molecular Weight275.56 g/mol
Exact Mass273.90
IUPAC Name3-(4-bromothiophen-3-yl)-6-chloropyridazine
SMILESClc1ccc(-c2cscc2Br)nn1
InChIInChI=1S/C8H4BrClN2S/c9-6-4-13-3-5(6)7-1-2-8(10)12-11-7/h1-4H
InChIKeyXSSDEJYHCVDWQJ-UHFFFAOYSA-N
XLogP3.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.56
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-3-yl)-6-chloropyridazine?
The IUPAC name of 3-(4-bromothiophen-3-yl)-6-chloropyridazine (CID 79601682) is 3-(4-bromothiophen-3-yl)-6-chloropyridazine.
What is the SMILES notation for 3-(4-bromothiophen-3-yl)-6-chloropyridazine?
The canonical SMILES for 3-(4-bromothiophen-3-yl)-6-chloropyridazine is Clc1ccc(-c2cscc2Br)nn1.
What is the InChIKey of 3-(4-bromothiophen-3-yl)-6-chloropyridazine?
The InChIKey is XSSDEJYHCVDWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2S/c9-6-4-13-3-5(6)7-1-2-8(10)12-11-7/h1-4H.
What are the key properties of 3-(4-bromothiophen-3-yl)-6-chloropyridazine?
3-(4-bromothiophen-3-yl)-6-chloropyridazine has a molecular weight of 275.56 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-3-yl)-6-chloropyridazine is sourced from PubChem (CID 79601682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).