4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide

C11H6BrClN4O3 — CID 115608655

IUPAC4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)nn1)c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C11H6BrClN4O3/c12-7-2-1-6(5-8(7)17(19)20)11(18)14-10-4-3-9(13)15-16-10/h1-5H,(H,14,16,18)
InChIKeyCWMVHVWIGVTVSO-UHFFFAOYSA-N
MW357.55 g/mol
LogP3.05
Rot. Bonds3

About 4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide

4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide (PubChem CID 115608655) has the molecular formula C11H6BrClN4O3 and a molecular weight of 357.55 g/mol. Its IUPAC name is 4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide
PubChem CID115608655
Molecular FormulaC11H6BrClN4O3
Molecular Weight357.55 g/mol
Exact Mass355.93
IUPAC Name4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)nn1)c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C11H6BrClN4O3/c12-7-2-1-6(5-8(7)17(19)20)11(18)14-10-4-3-9(13)15-16-10/h1-5H,(H,14,16,18)
InChIKeyCWMVHVWIGVTVSO-UHFFFAOYSA-N
XLogP3.05
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(6-chloropyridazin-3-yl)-3-methyl-4-nitrobenzamide
CID 115608624
N-(6-chloropyridazin-3-yl)-4-methoxy-3-nitrobenzamide
CID 115608630
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide
CID 103816409
4-bromo-N-(4-carbamoylphenyl)-3-nitrobenzamide
CID 26636179
4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide
CID 26087185
4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide
CID 103774675
4-bromo-3-nitro-N-(4-propan-2-ylphenyl)benzamide
CID 7761382
3,5-dichloro-N-(6-chloropyridazin-3-yl)benzamide
CID 113230922
3-chloro-N-(6-chloropyridazin-3-yl)-4-fluorobenzamide
CID 115737291
4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide
CID 8913316
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
4-bromo-N-(3-methylphenyl)-3-nitrobenzamide
CID 8713916

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide?
The IUPAC name of 4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide (CID 115608655) is 4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide?
The canonical SMILES for 4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide is O=C(Nc1ccc(Cl)nn1)c1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of 4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide?
The InChIKey is CWMVHVWIGVTVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN4O3/c12-7-2-1-6(5-8(7)17(19)20)11(18)14-10-4-3-9(13)15-16-10/h1-5H,(H,14,16,18).
What are the key properties of 4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide?
4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide has a molecular weight of 357.55 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide is sourced from PubChem (CID 115608655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).