3-chloro-6-(3-chlorothiophen-2-yl)pyridazine

C8H4Cl2N2S — CID 107360927

IUPAC3-chloro-6-(3-chlorothiophen-2-yl)pyridazine
SMILESClc1ccc(-c2sccc2Cl)nn1
InChIInChI=1S/C8H4Cl2N2S/c9-5-3-4-13-8(5)6-1-2-7(10)12-11-6/h1-4H
InChIKeyYRNUGSKBPWENJP-UHFFFAOYSA-N
MW231.11 g/mol
LogP3.51
Rot. Bonds1

About 3-chloro-6-(3-chlorothiophen-2-yl)pyridazine

3-chloro-6-(3-chlorothiophen-2-yl)pyridazine (PubChem CID 107360927) has the molecular formula C8H4Cl2N2S and a molecular weight of 231.11 g/mol. Its IUPAC name is 3-chloro-6-(3-chlorothiophen-2-yl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(3-chlorothiophen-2-yl)pyridazine
PubChem CID107360927
Molecular FormulaC8H4Cl2N2S
Molecular Weight231.11 g/mol
Exact Mass229.95
IUPAC Name3-chloro-6-(3-chlorothiophen-2-yl)pyridazine
SMILESClc1ccc(-c2sccc2Cl)nn1
InChIInChI=1S/C8H4Cl2N2S/c9-5-3-4-13-8(5)6-1-2-7(10)12-11-6/h1-4H
InChIKeyYRNUGSKBPWENJP-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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3-chlorothiophen-2-yl)pyridazine?
The IUPAC name of 3-chloro-6-(3-chlorothiophen-2-yl)pyridazine (CID 107360927) is 3-chloro-6-(3-chlorothiophen-2-yl)pyridazine.
What is the SMILES notation for 3-chloro-6-(3-chlorothiophen-2-yl)pyridazine?
The canonical SMILES for 3-chloro-6-(3-chlorothiophen-2-yl)pyridazine is Clc1ccc(-c2sccc2Cl)nn1.
What is the InChIKey of 3-chloro-6-(3-chlorothiophen-2-yl)pyridazine?
The InChIKey is YRNUGSKBPWENJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2S/c9-5-3-4-13-8(5)6-1-2-7(10)12-11-6/h1-4H.
What are the key properties of 3-chloro-6-(3-chlorothiophen-2-yl)pyridazine?
3-chloro-6-(3-chlorothiophen-2-yl)pyridazine 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-chloro-6-(3-chlorothiophen-2-yl)pyridazine is sourced from PubChem (CID 107360927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).