3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine

C15H11FN2OS — CID 7207093

IUPAC3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
SMILESFc1cccc(CSc2ccc(-c3ccco3)nn2)c1
InChIInChI=1S/C15H11FN2OS/c16-12-4-1-3-11(9-12)10-20-15-7-6-13(17-18-15)14-5-2-8-19-14/h1-9H,10H2
InChIKeyWDFLSTQJUFMIIW-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.17
Rot. Bonds4

About 3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine

3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine (PubChem CID 7207093) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
PubChem CID7207093
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine
SMILESFc1cccc(CSc2ccc(-c3ccco3)nn2)c1
InChIInChI=1S/C15H11FN2OS/c16-12-4-1-3-11(9-12)10-20-15-7-6-13(17-18-15)14-5-2-8-19-14/h1-9H,10H2
InChIKeyWDFLSTQJUFMIIW-UHFFFAOYSA-N
XLogP4.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine?
The IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine (CID 7207093) is 3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine.
What is the SMILES notation for 3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine?
The canonical SMILES for 3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine is Fc1cccc(CSc2ccc(-c3ccco3)nn2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine?
The InChIKey is WDFLSTQJUFMIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-12-4-1-3-11(9-12)10-20-15-7-6-13(17-18-15)14-5-2-8-19-14/h1-9H,10H2.
What are the key properties of 3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine?
3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine has a molecular weight of 286.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylsulfanyl]-6-(furan-2-yl)pyridazine is sourced from PubChem (CID 7207093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).