2-fluoro-4-(6-oxopyridazin-1-yl)benzamide

C11H8FN3O2 — CID 69315364

IUPAC2-fluoro-4-(6-oxopyridazin-1-yl)benzamide
SMILESNC(=O)c1ccc(-n2ncccc2=O)cc1F
InChIInChI=1S/C11H8FN3O2/c12-9-6-7(3-4-8(9)11(13)17)15-10(16)2-1-5-14-15/h1-6H,(H2,13,17)
InChIKeyHTCDIDXNOGZXKI-UHFFFAOYSA-N
MW233.20 g/mol
LogP0.47
Rot. Bonds2

About 2-fluoro-4-(6-oxopyridazin-1-yl)benzamide

2-fluoro-4-(6-oxopyridazin-1-yl)benzamide (PubChem CID 69315364) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is 2-fluoro-4-(6-oxopyridazin-1-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-(6-oxopyridazin-1-yl)benzamide
PubChem CID69315364
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name2-fluoro-4-(6-oxopyridazin-1-yl)benzamide
SMILESNC(=O)c1ccc(-n2ncccc2=O)cc1F
InChIInChI=1S/C11H8FN3O2/c12-9-6-7(3-4-8(9)11(13)17)15-10(16)2-1-5-14-15/h1-6H,(H2,13,17)
InChIKeyHTCDIDXNOGZXKI-UHFFFAOYSA-N
XLogP0.47
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(6-oxopyridazin-1-yl)benzamide?
The IUPAC name of 2-fluoro-4-(6-oxopyridazin-1-yl)benzamide (CID 69315364) is 2-fluoro-4-(6-oxopyridazin-1-yl)benzamide.
What is the SMILES notation for 2-fluoro-4-(6-oxopyridazin-1-yl)benzamide?
The canonical SMILES for 2-fluoro-4-(6-oxopyridazin-1-yl)benzamide is NC(=O)c1ccc(-n2ncccc2=O)cc1F.
What is the InChIKey of 2-fluoro-4-(6-oxopyridazin-1-yl)benzamide?
The InChIKey is HTCDIDXNOGZXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-9-6-7(3-4-8(9)11(13)17)15-10(16)2-1-5-14-15/h1-6H,(H2,13,17).
What are the key properties of 2-fluoro-4-(6-oxopyridazin-1-yl)benzamide?
2-fluoro-4-(6-oxopyridazin-1-yl)benzamide has a molecular weight of 233.20 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(6-oxopyridazin-1-yl)benzamide is sourced from PubChem (CID 69315364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).