3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine

C21H15FN2S — CID 43936944

IUPAC3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine
SMILESFc1ccc(-c2ccc(SCc3cccc4ccccc34)nn2)cc1
InChIInChI=1S/C21H15FN2S/c22-18-10-8-16(9-11-18)20-12-13-21(24-23-20)25-14-17-6-3-5-15-4-1-2-7-19(15)17/h1-13H,14H2
InChIKeyDGPNEEZKBFTGEA-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.73
Rot. Bonds4

About 3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine

3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine (PubChem CID 43936944) has the molecular formula C21H15FN2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine
PubChem CID43936944
Molecular FormulaC21H15FN2S
Molecular Weight346.43 g/mol
Exact Mass346.09
IUPAC Name3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine
SMILESFc1ccc(-c2ccc(SCc3cccc4ccccc34)nn2)cc1
InChIInChI=1S/C21H15FN2S/c22-18-10-8-16(9-11-18)20-12-13-21(24-23-20)25-14-17-6-3-5-15-4-1-2-7-19(15)17/h1-13H,14H2
InChIKeyDGPNEEZKBFTGEA-UHFFFAOYSA-N
XLogP5.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine?
The IUPAC name of 3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine (CID 43936944) is 3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine?
The canonical SMILES for 3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine is Fc1ccc(-c2ccc(SCc3cccc4ccccc34)nn2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine?
The InChIKey is DGPNEEZKBFTGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2S/c22-18-10-8-16(9-11-18)20-12-13-21(24-23-20)25-14-17-6-3-5-15-4-1-2-7-19(15)17/h1-13H,14H2.
What are the key properties of 3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine?
3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine has a molecular weight of 346.43 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-(naphthalen-1-ylmethylsulfanyl)pyridazine is sourced from PubChem (CID 43936944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).