2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide

C12H7Br3N2O — CID 103882532

IUPAC2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
SMILESO=C(Nc1cccc(Br)n1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H7Br3N2O/c13-7-4-5-8(9(14)6-7)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,16,17,18)
InChIKeyJMQJXWKZRNUKAG-UHFFFAOYSA-N
MW434.91 g/mol
LogP4.62
Rot. Bonds2

About 2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide

2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide (PubChem CID 103882532) has the molecular formula C12H7Br3N2O and a molecular weight of 434.91 g/mol. Its IUPAC name is 2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
PubChem CID103882532
Molecular FormulaC12H7Br3N2O
Molecular Weight434.91 g/mol
Exact Mass431.81
IUPAC Name2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide
SMILESO=C(Nc1cccc(Br)n1)c1ccc(Br)cc1Br
InChIInChI=1S/C12H7Br3N2O/c13-7-4-5-8(9(14)6-7)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,16,17,18)
InChIKeyJMQJXWKZRNUKAG-UHFFFAOYSA-N
XLogP4.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(6-bromo-2-pyridinyl)-2-methylbenzamide
CID 43629940
2,4-dibromo-N-(6-fluoro-2-pyridinyl)benzamide
CID 113462597
4-bromo-N-(6-bromo-2-pyridinyl)-2-chlorobenzamide
CID 43805504
2-bromo-N-(6-bromo-2-pyridinyl)benzamide
CID 43520587
2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide
CID 43520358
N-(6-bromo-2-pyridinyl)-2,4-dimethylbenzamide
CID 43520367
3,5-dibromo-N-(6-bromo-2-pyridinyl)benzamide
CID 114022639
N-(6-bromo-2-pyridinyl)-4-fluoro-2-hydroxybenzamide
CID 103829790
N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide
CID 43520386
4,5-dibromo-N-(6-bromo-2-pyridinyl)thiophene-2-carboxamide
CID 78971768
4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 104820162
N-(6-bromo-2-pyridinyl)benzamide
CID 43520453

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide (CID 103882532) is 2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide is O=C(Nc1cccc(Br)n1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide?
The InChIKey is JMQJXWKZRNUKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br3N2O/c13-7-4-5-8(9(14)6-7)12(18)17-11-3-1-2-10(15)16-11/h1-6H,(H,16,17,18).
What are the key properties of 2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide?
2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide has a molecular weight of 434.91 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(6-bromo-2-pyridinyl)benzamide is sourced from PubChem (CID 103882532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).