6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine

C17H12ClFN2S — CID 18760022

IUPAC6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine
SMILESCSc1ccc(-c2nnc(Cl)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12ClFN2S/c1-22-14-8-4-12(5-9-14)17-15(10-16(18)20-21-17)11-2-6-13(19)7-3-11/h2-10H,1H3
InChIKeyMAODTZRNVPHHPA-UHFFFAOYSA-N
MW330.82 g/mol
LogP5.32
Rot. Bonds3

About 6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine

6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine (PubChem CID 18760022) has the molecular formula C17H12ClFN2S and a molecular weight of 330.82 g/mol. Its IUPAC name is 6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine.

Molecular Properties

Compound Name6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine
PubChem CID18760022
Molecular FormulaC17H12ClFN2S
Molecular Weight330.82 g/mol
Exact Mass330.04
IUPAC Name6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine
SMILESCSc1ccc(-c2nnc(Cl)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12ClFN2S/c1-22-14-8-4-12(5-9-14)17-15(10-16(18)20-21-17)11-2-6-13(19)7-3-11/h2-10H,1H3
InChIKeyMAODTZRNVPHHPA-UHFFFAOYSA-N
XLogP5.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.82
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine?
The IUPAC name of 6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine (CID 18760022) is 6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine.
What is the SMILES notation for 6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine?
The canonical SMILES for 6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine is CSc1ccc(-c2nnc(Cl)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine?
The InChIKey is MAODTZRNVPHHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2S/c1-22-14-8-4-12(5-9-14)17-15(10-16(18)20-21-17)11-2-6-13(19)7-3-11/h2-10H,1H3.
What are the key properties of 6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine?
6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine has a molecular weight of 330.82 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)pyridazine is sourced from PubChem (CID 18760022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).