5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine

C12H9FN2S — CID 2767327

IUPAC5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine
SMILESFc1ccc(N2Cc3ccsc3C=N2)cc1
InChIInChI=1S/C12H9FN2S/c13-10-1-3-11(4-2-10)15-8-9-5-6-16-12(9)7-14-15/h1-7H,8H2
InChIKeyWULKKVBHCWANTM-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.24
Rot. Bonds1

About 5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine

5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine (PubChem CID 2767327) has the molecular formula C12H9FN2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine
PubChem CID2767327
Molecular FormulaC12H9FN2S
Molecular Weight232.28 g/mol
Exact Mass232.05
IUPAC Name5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine
SMILESFc1ccc(N2Cc3ccsc3C=N2)cc1
InChIInChI=1S/C12H9FN2S/c13-10-1-3-11(4-2-10)15-8-9-5-6-16-12(9)7-14-15/h1-7H,8H2
InChIKeyWULKKVBHCWANTM-UHFFFAOYSA-N
XLogP3.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine?
The IUPAC name of 5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine (CID 2767327) is 5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine.
What is the SMILES notation for 5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine?
The canonical SMILES for 5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine is Fc1ccc(N2Cc3ccsc3C=N2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine?
The InChIKey is WULKKVBHCWANTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2S/c13-10-1-3-11(4-2-10)15-8-9-5-6-16-12(9)7-14-15/h1-7H,8H2.
What are the key properties of 5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine?
5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine has a molecular weight of 232.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4H-thieno[2,3-d]pyridazine is sourced from PubChem (CID 2767327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).