1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone

C18H12FN3O3S — CID 8699383

IUPAC1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O3S/c19-14-5-1-13(2-6-14)17(23)11-26-18-10-9-16(20-21-18)12-3-7-15(8-4-12)22(24)25/h1-10H,11H2
InChIKeyMVMOZPXFIOYKNH-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.17
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone

1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone (PubChem CID 8699383) has the molecular formula C18H12FN3O3S and a molecular weight of 369.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone
PubChem CID8699383
Molecular FormulaC18H12FN3O3S
Molecular Weight369.38 g/mol
Exact Mass369.06
IUPAC Name1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone
SMILESO=C(CSc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O3S/c19-14-5-1-13(2-6-14)17(23)11-26-18-10-9-16(20-21-18)12-3-7-15(8-4-12)22(24)25/h1-10H,11H2
InChIKeyMVMOZPXFIOYKNH-UHFFFAOYSA-N
XLogP4.17
TPSA85.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone
CID 8699377
1-(4-nitrophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylethanone
CID 16822560
1-(4-fluorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 7205889
2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-1-(4-nitrophenyl)ethanone
CID 7222632
2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 7672457
2-(6-imidazol-1-ylpyridazin-3-yl)sulfanyl-1-(4-nitrophenyl)ethanone
CID 121031351
N-(2-methoxyphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7672535
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
1-(4-fluorophenyl)-2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 7206085
N-[(4-fluorophenyl)methyl]-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502709
N-[(2-chlorophenyl)methyl]-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699366
1-(2,3-dihydroindol-1-yl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone
CID 7672559

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone (CID 8699383) is 1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone is O=C(CSc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone?
The InChIKey is MVMOZPXFIOYKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O3S/c19-14-5-1-13(2-6-14)17(23)11-26-18-10-9-16(20-21-18)12-3-7-15(8-4-12)22(24)25/h1-10H,11H2.
What are the key properties of 1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone?
1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone has a molecular weight of 369.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylethanone is sourced from PubChem (CID 8699383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).