3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine

C19H17FN2O2S — CID 7205808

IUPAC3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine
SMILESCOc1ccc(-c2ccc(SCc3ccccc3F)nn2)cc1OC
InChIInChI=1S/C19H17FN2O2S/c1-23-17-9-7-13(11-18(17)24-2)16-8-10-19(22-21-16)25-12-14-5-3-4-6-15(14)20/h3-11H,12H2,1-2H3
InChIKeyXUHQFTVASKNHDW-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.59
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine

3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine (PubChem CID 7205808) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine
PubChem CID7205808
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine
SMILESCOc1ccc(-c2ccc(SCc3ccccc3F)nn2)cc1OC
InChIInChI=1S/C19H17FN2O2S/c1-23-17-9-7-13(11-18(17)24-2)16-8-10-19(22-21-16)25-12-14-5-3-4-6-15(14)20/h3-11H,12H2,1-2H3
InChIKeyXUHQFTVASKNHDW-UHFFFAOYSA-N
XLogP4.59
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine (CID 7205808) is 3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine is COc1ccc(-c2ccc(SCc3ccccc3F)nn2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine?
The InChIKey is XUHQFTVASKNHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-23-17-9-7-13(11-18(17)24-2)16-8-10-19(22-21-16)25-12-14-5-3-4-6-15(14)20/h3-11H,12H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine?
3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine has a molecular weight of 356.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-[(2-fluorophenyl)methylsulfanyl]pyridazine is sourced from PubChem (CID 7205808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).