4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide

C11H8FN3O2 — CID 116786641

IUPAC4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1ccc(F)cc1
InChIInChI=1S/C11H8FN3O2/c12-8-3-1-7(2-4-8)11(17)13-9-5-6-10(16)15-14-9/h1-6H,(H,15,16)(H,13,14,17)
InChIKeyWMSBRPFIOGEHCW-UHFFFAOYSA-N
MW233.20 g/mol
LogP1.16
Rot. Bonds2

About 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide

4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide (PubChem CID 116786641) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
PubChem CID116786641
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1ccc(F)cc1
InChIInChI=1S/C11H8FN3O2/c12-8-3-1-7(2-4-8)11(17)13-9-5-6-10(16)15-14-9/h1-6H,(H,15,16)(H,13,14,17)
InChIKeyWMSBRPFIOGEHCW-UHFFFAOYSA-N
XLogP1.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide (CID 116786641) is 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide is O=C(Nc1ccc(=O)[nH]n1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The InChIKey is WMSBRPFIOGEHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-8-3-1-7(2-4-8)11(17)13-9-5-6-10(16)15-14-9/h1-6H,(H,15,16)(H,13,14,17).
What are the key properties of 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide has a molecular weight of 233.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide is sourced from PubChem (CID 116786641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).