4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine

C10H7ClN2S — CID 127265273

IUPAC4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine
SMILESClc1ccsc1C=Cc1ccnnc1
InChIInChI=1S/C10H7ClN2S/c11-9-4-6-14-10(9)2-1-8-3-5-12-13-7-8/h1-7H
InChIKeyFGHXQZCGEOZIPS-UHFFFAOYSA-N
MW222.70 g/mol
LogP3.36
Rot. Bonds2

About 4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine

4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine (PubChem CID 127265273) has the molecular formula C10H7ClN2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine.

Molecular Properties

Compound Name4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine
PubChem CID127265273
Molecular FormulaC10H7ClN2S
Molecular Weight222.70 g/mol
Exact Mass222.00
IUPAC Name4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine
SMILESClc1ccsc1C=Cc1ccnnc1
InChIInChI=1S/C10H7ClN2S/c11-9-4-6-14-10(9)2-1-8-3-5-12-13-7-8/h1-7H
InChIKeyFGHXQZCGEOZIPS-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine?
The IUPAC name of 4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine (CID 127265273) is 4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine.
What is the SMILES notation for 4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine?
The canonical SMILES for 4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine is Clc1ccsc1C=Cc1ccnnc1.
What is the InChIKey of 4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine?
The InChIKey is FGHXQZCGEOZIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2S/c11-9-4-6-14-10(9)2-1-8-3-5-12-13-7-8/h1-7H.
What are the key properties of 4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine?
4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine has a molecular weight of 222.70 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorothiophen-2-yl)ethenyl]pyridazine is sourced from PubChem (CID 127265273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).