5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one

C10H7FN2OS — CID 91425814

IUPAC5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one
SMILESO=c1[nH]nccc1Sc1ccc(F)cc1
InChIInChI=1S/C10H7FN2OS/c11-7-1-3-8(4-2-7)15-9-5-6-12-13-10(9)14/h1-6H,(H,13,14)
InChIKeyYRGUWZHKDIPJMM-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.06
Rot. Bonds2

About 5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one

5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one (PubChem CID 91425814) has the molecular formula C10H7FN2OS and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one
PubChem CID91425814
Molecular FormulaC10H7FN2OS
Molecular Weight222.24 g/mol
Exact Mass222.03
IUPAC Name5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one
SMILESO=c1[nH]nccc1Sc1ccc(F)cc1
InChIInChI=1S/C10H7FN2OS/c11-7-1-3-8(4-2-7)15-9-5-6-12-13-10(9)14/h1-6H,(H,13,14)
InChIKeyYRGUWZHKDIPJMM-UHFFFAOYSA-N
XLogP2.06
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxamide
CID 69229250
5-bromo-1H-pyridazin-6-one
CID 13103616
4-(4-fluorophenyl)sulfanyl-6-methylpyridine-3-carboxylic acid
CID 81238999
2-(4-fluorophenyl)sulfanylbenzoic acid
CID 14418768
4-[4-(4-fluorophenyl)sulfanyl-1H-pyrazol-5-yl]benzene-1,3-diol
CID 135487321
5-(4-phenylsulfanylphenyl)-1H-pyrazole
CID 1471991
telluroxodihydrodiazole
CID 139263061
1-fluoro-4-[2-[4-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfanylphenyl]ethenyl]benzene
CID 72543273
N-[2-(4-fluorophenyl)sulfanylphenyl]acetamide
CID 58015270
[2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone
CID 157369619
1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 10634160
1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one?
The IUPAC name of 5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one (CID 91425814) is 5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one is O=c1[nH]nccc1Sc1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one?
The InChIKey is YRGUWZHKDIPJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2OS/c11-7-1-3-8(4-2-7)15-9-5-6-12-13-10(9)14/h1-6H,(H,13,14).
What are the key properties of 5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one?
5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one has a molecular weight of 222.24 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfanyl-1H-pyridazin-6-one is sourced from PubChem (CID 91425814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).