N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide

C12H7Br2IN2O — CID 1281652

IUPACN-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide
SMILESO=C(Nc1ncc(Br)cc1Br)c1ccccc1I
InChIInChI=1S/C12H7Br2IN2O/c13-7-5-9(14)11(16-6-7)17-12(18)8-3-1-2-4-10(8)15/h1-6H,(H,16,17,18)
InChIKeyUPHWMNMJBXOFDW-UHFFFAOYSA-N
MW481.91 g/mol
LogP4.46
Rot. Bonds2

About N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide

N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide (PubChem CID 1281652) has the molecular formula C12H7Br2IN2O and a molecular weight of 481.91 g/mol. Its IUPAC name is N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide.

Molecular Properties

Compound NameN-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide
PubChem CID1281652
Molecular FormulaC12H7Br2IN2O
Molecular Weight481.91 g/mol
Exact Mass479.80
IUPAC NameN-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide
SMILESO=C(Nc1ncc(Br)cc1Br)c1ccccc1I
InChIInChI=1S/C12H7Br2IN2O/c13-7-5-9(14)11(16-6-7)17-12(18)8-3-1-2-4-10(8)15/h1-6H,(H,16,17,18)
InChIKeyUPHWMNMJBXOFDW-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.91
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide 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

N-(5-bromo-2-pyridinyl)-2-iodobenzamide
CID 17019973
N-(5-amino-3-methyl-2-pyridinyl)-2-iodobenzamide
CID 112555395
N-(3-bromo-4-hydroxyphenyl)-2-iodobenzamide
CID 5090164
N-(5-amino-3-bromo-2-pyridinyl)-2,4-dibromobenzamide
CID 107937535
N-(4-bromo-2,5-difluorophenyl)-2-iodobenzamide
CID 103842493
4-bromo-2-[(2-iodobenzoyl)amino]benzoic acid
CID 60916636
3-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-fluorobenzamide
CID 106547581
5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide
CID 114074313
N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 81485699
N-(3,5-dibromo-2-pyridinyl)-3-nitrobenzamide
CID 1099233
N-(3,5-dibromo-2-pyridinyl)-1,2,5-thiadiazole-3-carboxamide
CID 43842191
N-(5-fluoro-2-pyridinyl)-2-iodobenzamide
CID 62877590

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide?
The IUPAC name of N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide (CID 1281652) is N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide.
What is the SMILES notation for N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide?
The canonical SMILES for N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide is O=C(Nc1ncc(Br)cc1Br)c1ccccc1I.
What is the InChIKey of N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide?
The InChIKey is UPHWMNMJBXOFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2IN2O/c13-7-5-9(14)11(16-6-7)17-12(18)8-3-1-2-4-10(8)15/h1-6H,(H,16,17,18).
What are the key properties of N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide?
N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide has a molecular weight of 481.91 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromo-2-pyridinyl)-2-iodobenzamide is sourced from PubChem (CID 1281652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).