3,6-dichloro-4-thiophen-2-ylpyridazine

C8H4Cl2N2S — CID 22609950

IUPAC3,6-dichloro-4-thiophen-2-ylpyridazine
SMILESClc1cc(-c2cccs2)c(Cl)nn1
InChIInChI=1S/C8H4Cl2N2S/c9-7-4-5(8(10)12-11-7)6-2-1-3-13-6/h1-4H
InChIKeyZJMUMFQTMSYALO-UHFFFAOYSA-N
MW231.11 g/mol
LogP3.51
Rot. Bonds1

About 3,6-dichloro-4-thiophen-2-ylpyridazine

3,6-dichloro-4-thiophen-2-ylpyridazine (PubChem CID 22609950) has the molecular formula C8H4Cl2N2S and a molecular weight of 231.11 g/mol. Its IUPAC name is 3,6-dichloro-4-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-thiophen-2-ylpyridazine
PubChem CID22609950
Molecular FormulaC8H4Cl2N2S
Molecular Weight231.11 g/mol
Exact Mass229.95
IUPAC Name3,6-dichloro-4-thiophen-2-ylpyridazine
SMILESClc1cc(-c2cccs2)c(Cl)nn1
InChIInChI=1S/C8H4Cl2N2S/c9-7-4-5(8(10)12-11-7)6-2-1-3-13-6/h1-4H
InChIKeyZJMUMFQTMSYALO-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,6-dichloro-4-thiophen-2-ylpyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-thiophen-2-ylpyridazine?
The IUPAC name of 3,6-dichloro-4-thiophen-2-ylpyridazine (CID 22609950) is 3,6-dichloro-4-thiophen-2-ylpyridazine.
What is the SMILES notation for 3,6-dichloro-4-thiophen-2-ylpyridazine?
The canonical SMILES for 3,6-dichloro-4-thiophen-2-ylpyridazine is Clc1cc(-c2cccs2)c(Cl)nn1.
What is the InChIKey of 3,6-dichloro-4-thiophen-2-ylpyridazine?
The InChIKey is ZJMUMFQTMSYALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2S/c9-7-4-5(8(10)12-11-7)6-2-1-3-13-6/h1-4H.
What are the key properties of 3,6-dichloro-4-thiophen-2-ylpyridazine?
3,6-dichloro-4-thiophen-2-ylpyridazine has a molecular weight of 231.11 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-thiophen-2-ylpyridazine is sourced from PubChem (CID 22609950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).