4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide

C12H6Br2ClN3O3 — CID 103816409

IUPAC4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide
SMILESO=C(Nc1cnc(Cl)c(Br)c1)c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C12H6Br2ClN3O3/c13-8-2-1-6(3-10(8)18(20)21)12(19)17-7-4-9(14)11(15)16-5-7/h1-5H,(H,17,19)
InChIKeyKWWHPXGJJYOBOA-UHFFFAOYSA-N
MW435.46 g/mol
LogP4.42
Rot. Bonds3

About 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide

4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide (PubChem CID 103816409) has the molecular formula C12H6Br2ClN3O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide
PubChem CID103816409
Molecular FormulaC12H6Br2ClN3O3
Molecular Weight435.46 g/mol
Exact Mass432.85
IUPAC Name4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide
SMILESO=C(Nc1cnc(Cl)c(Br)c1)c1ccc(Br)c([N+](=O)[O-])c1
InChIInChI=1S/C12H6Br2ClN3O3/c13-8-2-1-6(3-10(8)18(20)21)12(19)17-7-4-9(14)11(15)16-5-7/h1-5H,(H,17,19)
InChIKeyKWWHPXGJJYOBOA-UHFFFAOYSA-N
XLogP4.42
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide
CID 103774675
4-bromo-N-(3-chloro-4-methylphenyl)-3-nitrobenzamide
CID 26087185
4-bromo-N-(4-carbamoylphenyl)-3-nitrobenzamide
CID 26636179
N-(5-bromo-6-chloro-3-pyridinyl)-3,4-difluorobenzamide
CID 103816540
N-(5-bromo-6-chloro-3-pyridinyl)-2-methyl-6-nitrobenzamide
CID 107143575
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904
4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide
CID 115608655
4-bromo-3-nitro-N-(4-propan-2-ylphenyl)benzamide
CID 7761382
N-(5-bromo-6-chloro-3-pyridinyl)-3-chloro-4-methylbenzamide
CID 114050552
4-bromo-N-(3-methylphenyl)-3-nitrobenzamide
CID 8713916
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-3-methylbenzamide
CID 104624744

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide?
The IUPAC name of 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide (CID 103816409) is 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide?
The canonical SMILES for 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide is O=C(Nc1cnc(Cl)c(Br)c1)c1ccc(Br)c([N+](=O)[O-])c1.
What is the InChIKey of 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide?
The InChIKey is KWWHPXGJJYOBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Br2ClN3O3/c13-8-2-1-6(3-10(8)18(20)21)12(19)17-7-4-9(14)11(15)16-5-7/h1-5H,(H,17,19).
What are the key properties of 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide?
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide has a molecular weight of 435.46 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-nitrobenzamide is sourced from PubChem (CID 103816409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).