3-chloro-6-(trifluoromethylsulfanyl)pyridazine

C5H2ClF3N2S — CID 75406411

IUPAC3-chloro-6-(trifluoromethylsulfanyl)pyridazine
SMILESFC(F)(F)Sc1ccc(Cl)nn1
InChIInChI=1S/C5H2ClF3N2S/c6-3-1-2-4(11-10-3)12-5(7,8)9/h1-2H
InChIKeyCZEZTOIZZBKTJS-UHFFFAOYSA-N
MW214.60 g/mol
LogP2.74
Rot. Bonds1

About 3-chloro-6-(trifluoromethylsulfanyl)pyridazine

3-chloro-6-(trifluoromethylsulfanyl)pyridazine (PubChem CID 75406411) has the molecular formula C5H2ClF3N2S and a molecular weight of 214.60 g/mol. Its IUPAC name is 3-chloro-6-(trifluoromethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(trifluoromethylsulfanyl)pyridazine
PubChem CID75406411
Molecular FormulaC5H2ClF3N2S
Molecular Weight214.60 g/mol
Exact Mass213.96
IUPAC Name3-chloro-6-(trifluoromethylsulfanyl)pyridazine
SMILESFC(F)(F)Sc1ccc(Cl)nn1
InChIInChI=1S/C5H2ClF3N2S/c6-3-1-2-4(11-10-3)12-5(7,8)9/h1-2H
InChIKeyCZEZTOIZZBKTJS-UHFFFAOYSA-N
XLogP2.74
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.60
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(trifluoromethylsulfanyl)pyridazine?
The IUPAC name of 3-chloro-6-(trifluoromethylsulfanyl)pyridazine (CID 75406411) is 3-chloro-6-(trifluoromethylsulfanyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(trifluoromethylsulfanyl)pyridazine?
The canonical SMILES for 3-chloro-6-(trifluoromethylsulfanyl)pyridazine is FC(F)(F)Sc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(trifluoromethylsulfanyl)pyridazine?
The InChIKey is CZEZTOIZZBKTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3N2S/c6-3-1-2-4(11-10-3)12-5(7,8)9/h1-2H.
What are the key properties of 3-chloro-6-(trifluoromethylsulfanyl)pyridazine?
3-chloro-6-(trifluoromethylsulfanyl)pyridazine has a molecular weight of 214.60 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(trifluoromethylsulfanyl)pyridazine is sourced from PubChem (CID 75406411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).