5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide

C12H7BrI2N2O — CID 114033128

IUPAC5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(I)cn1)c1cc(Br)ccc1I
InChIInChI=1S/C12H7BrI2N2O/c13-7-1-3-10(15)9(5-7)12(18)17-11-4-2-8(14)6-16-11/h1-6H,(H,16,17,18)
InChIKeyHUNDZIDRKKMFIR-UHFFFAOYSA-N
MW528.91 g/mol
LogP4.31
Rot. Bonds2

About 5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide

5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide (PubChem CID 114033128) has the molecular formula C12H7BrI2N2O and a molecular weight of 528.91 g/mol. Its IUPAC name is 5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide
PubChem CID114033128
Molecular FormulaC12H7BrI2N2O
Molecular Weight528.91 g/mol
Exact Mass527.78
IUPAC Name5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(I)cn1)c1cc(Br)ccc1I
InChIInChI=1S/C12H7BrI2N2O/c13-7-1-3-10(15)9(5-7)12(18)17-11-4-2-8(14)6-16-11/h1-6H,(H,16,17,18)
InChIKeyHUNDZIDRKKMFIR-UHFFFAOYSA-N
XLogP4.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.91
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-iodo-N-pyridin-2-ylbenzamide
CID 23819192
2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide
CID 114027500
N-(5-bromo-2-pyridinyl)-2-iodobenzamide
CID 17019973
5-bromo-N-(5-iodo-2-pyridinyl)-2-methoxy-3-methylbenzamide
CID 3684602
5-bromo-N-(3,5-dibromopyrazin-2-yl)-2-iodobenzamide
CID 114074313
N-(5-bromo-2-pyridinyl)-4-iodobenzamide
CID 4066488
5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 103600330
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-iodobenzamide
CID 104619953
5-bromo-2-iodo-N-(3-iodophenyl)benzamide
CID 103600021
5-bromo-N-(5-iodo-2-pyridinyl)thiophene-2-carboxamide
CID 65098648
3,5-dichloro-N-(5-iodo-2-pyridinyl)benzamide
CID 65098988
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide?
The IUPAC name of 5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide (CID 114033128) is 5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide.
What is the SMILES notation for 5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide?
The canonical SMILES for 5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide is O=C(Nc1ccc(I)cn1)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide?
The InChIKey is HUNDZIDRKKMFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrI2N2O/c13-7-1-3-10(15)9(5-7)12(18)17-11-4-2-8(14)6-16-11/h1-6H,(H,16,17,18).
What are the key properties of 5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide?
5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide has a molecular weight of 528.91 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide is sourced from PubChem (CID 114033128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).