3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine

C18H14ClFN2S — CID 7206022

IUPAC3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine
SMILESCc1ccc(-c2ccc(SCc3c(F)cccc3Cl)nn2)cc1
InChIInChI=1S/C18H14ClFN2S/c1-12-5-7-13(8-6-12)17-9-10-18(22-21-17)23-11-14-15(19)3-2-4-16(14)20/h2-10H,11H2,1H3
InChIKeyXEQOERVCDDJXOR-UHFFFAOYSA-N
MW344.84 g/mol
LogP5.54
Rot. Bonds4

About 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine (PubChem CID 7206022) has the molecular formula C18H14ClFN2S and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine
PubChem CID7206022
Molecular FormulaC18H14ClFN2S
Molecular Weight344.84 g/mol
Exact Mass344.06
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine
SMILESCc1ccc(-c2ccc(SCc3c(F)cccc3Cl)nn2)cc1
InChIInChI=1S/C18H14ClFN2S/c1-12-5-7-13(8-6-12)17-9-10-18(22-21-17)23-11-14-15(19)3-2-4-16(14)20/h2-10H,11H2,1H3
InChIKeyXEQOERVCDDJXOR-UHFFFAOYSA-N
XLogP5.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.84
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine (CID 7206022) is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine is Cc1ccc(-c2ccc(SCc3c(F)cccc3Cl)nn2)cc1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine?
The InChIKey is XEQOERVCDDJXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2S/c1-12-5-7-13(8-6-12)17-9-10-18(22-21-17)23-11-14-15(19)3-2-4-16(14)20/h2-10H,11H2,1H3.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine?
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine has a molecular weight of 344.84 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-methylphenyl)pyridazine is sourced from PubChem (CID 7206022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).