2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide

C11H7Br2N3O2 — CID 114020151

IUPAC2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H7Br2N3O2/c12-6-1-2-7(8(13)5-6)11(18)14-9-3-4-10(17)16-15-9/h1-5H,(H,16,17)(H,14,15,18)
InChIKeyKPFIIXZPFHGZNK-UHFFFAOYSA-N
MW373.00 g/mol
LogP2.55
Rot. Bonds2

About 2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide

2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide (PubChem CID 114020151) has the molecular formula C11H7Br2N3O2 and a molecular weight of 373.00 g/mol. Its IUPAC name is 2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide
PubChem CID114020151
Molecular FormulaC11H7Br2N3O2
Molecular Weight373.00 g/mol
Exact Mass370.89
IUPAC Name2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H7Br2N3O2/c12-6-1-2-7(8(13)5-6)11(18)14-9-3-4-10(17)16-15-9/h1-5H,(H,16,17)(H,14,15,18)
InChIKeyKPFIIXZPFHGZNK-UHFFFAOYSA-N
XLogP2.55
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.00
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787212
6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide
CID 116787217
5-bromo-N-(6-oxo-1H-pyridazin-3-yl)pyridine-2-carboxamide
CID 116787224
2-bromo-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787216
5-bromo-2-(methylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-carboxamide
CID 116788035
3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide
CID 116787231
2,4-dibromo-N-(4-methyl-2-pyridinyl)benzamide
CID 1234856
2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 103882532
4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide
CID 116787203
2-hydrazinyl-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116788149
4-bromo-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63818565
2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide
CID 113462597

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The IUPAC name of 2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide (CID 114020151) is 2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide is O=C(Nc1ccc(=O)[nH]n1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
The InChIKey is KPFIIXZPFHGZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2N3O2/c12-6-1-2-7(8(13)5-6)11(18)14-9-3-4-10(17)16-15-9/h1-5H,(H,16,17)(H,14,15,18).
What are the key properties of 2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide?
2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide has a molecular weight of 373.00 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide is sourced from PubChem (CID 114020151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).