N-(5-bromo-2-pyridinyl)-4-iodobenzamide

C12H8BrIN2O — CID 4066488

IUPACN-(5-bromo-2-pyridinyl)-4-iodobenzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(I)cc1
InChIInChI=1S/C12H8BrIN2O/c13-9-3-6-11(15-7-9)16-12(17)8-1-4-10(14)5-2-8/h1-7H,(H,15,16,17)
InChIKeyXXIKELXSNYVYHV-UHFFFAOYSA-N
MW403.02 g/mol
LogP3.70
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-4-iodobenzamide

N-(5-bromo-2-pyridinyl)-4-iodobenzamide (PubChem CID 4066488) has the molecular formula C12H8BrIN2O and a molecular weight of 403.02 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-iodobenzamide
PubChem CID4066488
Molecular FormulaC12H8BrIN2O
Molecular Weight403.02 g/mol
Exact Mass401.89
IUPAC NameN-(5-bromo-2-pyridinyl)-4-iodobenzamide
SMILESO=C(Nc1ccc(Br)cn1)c1ccc(I)cc1
InChIInChI=1S/C12H8BrIN2O/c13-9-3-6-11(15-7-9)16-12(17)8-1-4-10(14)5-2-8/h1-7H,(H,15,16,17)
InChIKeyXXIKELXSNYVYHV-UHFFFAOYSA-N
XLogP3.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.02
LogP ≤ 53.70
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

2-bromo-N-(5-bromo-2-pyridinyl)-5-iodobenzamide
CID 114027500
N-(5-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 60522017
N-(5-bromo-2-pyridinyl)-4-methylsulfonylbenzamide
CID 60650971
N-(5-bromo-2-pyridinyl)-4-(difluoromethylsulfanyl)benzamide
CID 55504518
N-(5-bromo-2-pyridinyl)-3,5-dimethylbenzamide
CID 953685
N-(5-bromo-2-pyridinyl)-2-iodobenzamide
CID 17019973
N-(5-bromo-2-pyridinyl)-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 4065398
N-(5-bromo-2-pyridinyl)-2,6-dichloropyridine-4-carboxamide
CID 43132088
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252
N-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611
4-[(5-bromo-2-pyridinyl)carbamoyl]pyridine-2-carboxylic acid
CID 113384992
N-(5-bromo-2-pyridinyl)-5-methylthiophene-3-carboxamide
CID 17218099

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-iodobenzamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-iodobenzamide (CID 4066488) is N-(5-bromo-2-pyridinyl)-4-iodobenzamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-iodobenzamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-iodobenzamide is O=C(Nc1ccc(Br)cn1)c1ccc(I)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-iodobenzamide?
The InChIKey is XXIKELXSNYVYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrIN2O/c13-9-3-6-11(15-7-9)16-12(17)8-1-4-10(14)5-2-8/h1-7H,(H,15,16,17).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-iodobenzamide?
N-(5-bromo-2-pyridinyl)-4-iodobenzamide has a molecular weight of 403.02 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-iodobenzamide is sourced from PubChem (CID 4066488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).