1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone

C17H12FN3OS — CID 6624225

IUPAC1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2cccnc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3OS/c18-14-5-3-12(4-6-14)16(22)11-23-17-8-7-15(20-21-17)13-2-1-9-19-10-13/h1-10H,11H2
InChIKeyAELIUCHHZNKBEP-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.65
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone

1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone (PubChem CID 6624225) has the molecular formula C17H12FN3OS and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone
PubChem CID6624225
Molecular FormulaC17H12FN3OS
Molecular Weight325.37 g/mol
Exact Mass325.07
IUPAC Name1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone
SMILESO=C(CSc1ccc(-c2cccnc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C17H12FN3OS/c18-14-5-3-12(4-6-14)16(22)11-23-17-8-7-15(20-21-17)13-2-1-9-19-10-13/h1-10H,11H2
InChIKeyAELIUCHHZNKBEP-UHFFFAOYSA-N
XLogP3.65
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Benzylsulfanyl-6-pyridin-2-ylpyridazine
CID 7207303
3-Benzylsulfanyl-6-pyridin-3-ylpyridazine
CID 7207304
1-(4-Methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone
CID 7207441
1-(4-Chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
CID 7207487
2-Phenacylsulfanyl-6-pyridin-3-ylpyridine-3-carbonitrile
CID 682310
1-(4-Fluorophenyl)-2-(2-pyridinylthio)ethanone
CID 868034
2-Methyl-1-(2-oxo-2-phenylethyl)-5-[2-(phenylthio)ethyl]pyridinium bromide
CID 2894365
1-Phenyl-3-(2-pyridinylsulfanyl)-1-propanone
CID 3847697
N-(3-acetylphenyl)-2-((6-(pyridin-2-yl)pyridazin-3-yl)thio)acetamide
CID 7207435
2-((6-(Pyridin-4-yl)pyridazin-3-yl)thio)-1-(p-tolyl)ethanone
CID 7207443
1-(4-Nitrophenyl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone
CID 7207482
1-(4-Nitrophenyl)-2-((6-(pyridin-3-yl)pyridazin-3-yl)thio)ethanone
CID 7207483

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone (CID 6624225) is 1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone is O=C(CSc1ccc(-c2cccnc2)nn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone?
The InChIKey is AELIUCHHZNKBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS/c18-14-5-3-12(4-6-14)16(22)11-23-17-8-7-15(20-21-17)13-2-1-9-19-10-13/h1-10H,11H2.
What are the key properties of 1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone?
1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone has a molecular weight of 325.37 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanone is sourced from PubChem (CID 6624225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).