2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide

C13H9Br3N2O — CID 104920609

IUPAC2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
SMILESCc1nc(Br)ccc1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H9Br3N2O/c1-7-11(4-5-12(16)17-7)18-13(19)9-6-8(14)2-3-10(9)15/h2-6H,1H3,(H,18,19)
InChIKeyHWPKLDRZENHZPJ-UHFFFAOYSA-N
MW448.94 g/mol
LogP4.93
Rot. Bonds2

About 2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide

2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide (PubChem CID 104920609) has the molecular formula C13H9Br3N2O and a molecular weight of 448.94 g/mol. Its IUPAC name is 2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
PubChem CID104920609
Molecular FormulaC13H9Br3N2O
Molecular Weight448.94 g/mol
Exact Mass445.83
IUPAC Name2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide
SMILESCc1nc(Br)ccc1NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H9Br3N2O/c1-7-11(4-5-12(16)17-7)18-13(19)9-6-8(14)2-3-10(9)15/h2-6H,1H3,(H,18,19)
InChIKeyHWPKLDRZENHZPJ-UHFFFAOYSA-N
XLogP4.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.94
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxybenzamide
CID 103909645
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-nitrobenzamide
CID 103910150
N-(6-bromo-2-methyl-3-pyridinyl)-4-chloro-2-methylbenzamide
CID 103909568
N-(6-bromo-2-methyl-3-pyridinyl)-4-fluoro-2-methylbenzamide
CID 113349854
N-(6-bromo-2-methyl-3-pyridinyl)-2,5-difluorobenzamide
CID 103909591
2,5-dibromo-N-(4-fluoro-2-methylphenyl)benzamide
CID 114370000
2,5-dibromo-N-(2,5-dimethylphenyl)benzamide
CID 114370020
2,5-dibromo-N-(4-methyl-3-pyridinyl)benzamide
CID 114372326
N-(6-bromo-2-methyl-3-pyridinyl)-2-iodo-3-methylbenzamide
CID 113349911
N-(6-bromo-2-methyl-3-pyridinyl)-2-ethylbenzamide
CID 103909504
2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide
CID 107791014
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide (CID 104920609) is 2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide is Cc1nc(Br)ccc1NC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide?
The InChIKey is HWPKLDRZENHZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br3N2O/c1-7-11(4-5-12(16)17-7)18-13(19)9-6-8(14)2-3-10(9)15/h2-6H,1H3,(H,18,19).
What are the key properties of 2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide?
2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide has a molecular weight of 448.94 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(6-bromo-2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 104920609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).