2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide

C12H7Br2IN2O — CID 114027500

IUPAC2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide
SMILESO=C(Nc1ccc(Br)cn1)c1cc(I)ccc1Br
InChIInChI=1S/C12H7Br2IN2O/c13-7-1-4-11(16-6-7)17-12(18)9-5-8(15)2-3-10(9)14/h1-6H,(H,16,17,18)
InChIKeyLKHBNXWYPZISKP-UHFFFAOYSA-N
MW481.91 g/mol
LogP4.46
Rot. Bonds2

About 2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide

2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide (PubChem CID 114027500) has the molecular formula C12H7Br2IN2O and a molecular weight of 481.91 g/mol. Its IUPAC name is 2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide
PubChem CID114027500
Molecular FormulaC12H7Br2IN2O
Molecular Weight481.91 g/mol
Exact Mass479.80
IUPAC Name2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide
SMILESO=C(Nc1ccc(Br)cn1)c1cc(I)ccc1Br
InChIInChI=1S/C12H7Br2IN2O/c13-7-1-4-11(16-6-7)17-12(18)9-5-8(15)2-3-10(9)14/h1-6H,(H,16,17,18)
InChIKeyLKHBNXWYPZISKP-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'}

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-iodobenzamide
CID 4066488
5-bromo-2-iodo-N-(5-iodo-2-pyridinyl)benzamide
CID 114033128
2-bromo-5-iodo-N-pyrimidin-2-ylbenzamide
CID 103993852
N-(5-bromo-2-pyridinyl)-2-iodobenzamide
CID 17019973
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodobenzamide
CID 103995808
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
4-bromo-N-(5-bromo-2-pyridinyl)-2-chlorobenzamide
CID 61060806
N-(5-bromo-2-pyridinyl)-2-iodo-3-methylbenzamide
CID 103617949
2-bromo-5-iodo-N-(2-methyl-4-pyridinyl)benzamide
CID 103993823
2-amino-N-(5-bromo-2-pyridinyl)benzamide
CID 13348356
2-bromo-5-iodobenzohydrazide
CID 3623021
N-(5-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103604536

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide?
The IUPAC name of 2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide (CID 114027500) is 2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide.
What is the SMILES notation for 2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide?
The canonical SMILES for 2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide is O=C(Nc1ccc(Br)cn1)c1cc(I)ccc1Br.
What is the InChIKey of 2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide?
The InChIKey is LKHBNXWYPZISKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Br2IN2O/c13-7-1-4-11(16-6-7)17-12(18)9-5-8(15)2-3-10(9)14/h1-6H,(H,16,17,18).
What are the key properties of 2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide?
2-bromo-N-(5-bromo-2-pyridinyl)-5-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 2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide is sourced from PubChem (CID 114027500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).