3-[(2-Fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine

C18H15FN2OS — CID 7206036

IUPAC3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
SMILESCOC1=CC=CC=C1C2=NN=C(C=C2)SCC3=CC=CC=C3F
InChIInChI=1S/C18H15FN2OS/c1-22-17-9-5-3-7-14(17)16-10-11-18(21-20-16)23-12-13-6-2-4-8-15(13)19/h2-11H,12H2,1H3
InChIKeyWLNGNECPJIWIAF-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.90
Rot. Bonds5

About 3-[(2-Fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine

3-[(2-Fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine (PubChem CID 7206036) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine.

Molecular Properties

Compound Name3-[(2-Fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
PubChem CID7206036
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC Name3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
SMILESCOC1=CC=CC=C1C2=NN=C(C=C2)SCC3=CC=CC=C3F
InChIInChI=1S/C18H15FN2OS/c1-22-17-9-5-3-7-14(17)16-10-11-18(21-20-16)23-12-13-6-2-4-8-15(13)19/h2-11H,12H2,1H3
InChIKeyWLNGNECPJIWIAF-UHFFFAOYSA-N
XLogP3.90
TPSA60.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity360

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Ethoxyphenyl)-6-ethylsulfanylpyridazine
CID 7502726
3-Benzylsulfanyl-6-(2-methoxyphenyl)pyridazine
CID 7206031
3-((4-Fluorobenzyl)thio)-6-(2-methoxyphenyl)pyridazine
CID 7206037
3-(2-Methoxyphenyl)-6-((4-methylbenzyl)thio)pyridazine
CID 7206042
3-[(3-Fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
CID 7206034
3-(2-Methoxyphenyl)-6-((4-nitrobenzyl)thio)pyridazine
CID 7206087
3-(4-Methoxyphenyl)-6-(methylthio)pyridazine
CID 7502647
3-(4-Ethoxyphenyl)-6-methylsulfanylpyridazine
CID 7502724
2-((6-(2-methoxyphenyl)pyridazin-3-yl)thio)-N-phenethylacetamide
CID 7502785
6-(2,4-Difluorophenyl)sulfanyl-3,4-bis(4-methoxyphenyl)pyridazine
CID 18759990
3-[(4-Methoxyphenyl)sulfanyl]-6-phenyl-4-pyridazinecarbonitrile
CID 6404491
3-(2-Methoxyphenyl)-6-((3-methylbenzyl)thio)pyridazine
CID 7206032

Frequently Asked Questions

What is the IUPAC name of 3-[(2-Fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
The IUPAC name of 3-[(2-Fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine (CID 7206036) is 3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine.
What is the SMILES notation for 3-[(2-Fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
The canonical SMILES for 3-[(2-Fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine is COC1=CC=CC=C1C2=NN=C(C=C2)SCC3=CC=CC=C3F.
What is the InChIKey of 3-[(2-Fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
The InChIKey is WLNGNECPJIWIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-22-17-9-5-3-7-14(17)16-10-11-18(21-20-16)23-12-13-6-2-4-8-15(13)19/h2-11H,12H2,1H3.
What are the key properties of 3-[(2-Fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine?
3-[(2-Fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine has a molecular weight of 326.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-Fluorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine is sourced from PubChem (CID 7206036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).