N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide

C13H9BrClIN2O — CID 4509262

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide
SMILESCc1nc(NC(=O)c2cc(I)ccc2Cl)ccc1Br
InChIInChI=1S/C13H9BrClIN2O/c1-7-10(14)3-5-12(17-7)18-13(19)9-6-8(16)2-4-11(9)15/h2-6H,1H3,(H,17,18,19)
InChIKeyIXEJISANEICOAQ-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.66
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide

N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide (PubChem CID 4509262) has the molecular formula C13H9BrClIN2O and a molecular weight of 451.49 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide
PubChem CID4509262
Molecular FormulaC13H9BrClIN2O
Molecular Weight451.49 g/mol
Exact Mass449.86
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide
SMILESCc1nc(NC(=O)c2cc(I)ccc2Cl)ccc1Br
InChIInChI=1S/C13H9BrClIN2O/c1-7-10(14)3-5-12(17-7)18-13(19)9-6-8(16)2-4-11(9)15/h2-6H,1H3,(H,17,18,19)
InChIKeyIXEJISANEICOAQ-UHFFFAOYSA-N
XLogP4.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.66
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-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
CID 4509260
2-chloro-5-iodo-N-(6-methyl-2-pyridinyl)benzamide
CID 1347930
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-5-chloropyridine-4-carboxamide
CID 114923983
2,5-dichloro-N-(5-iodo-6-methyl-2-pyridinyl)benzamide
CID 19631637
N-(5-bromo-6-methyl-2-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103715596
N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide
CID 3480421
2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide
CID 114052924
N-(5-bromo-6-methyl-2-pyridinyl)-5,6-dichloropyridine-3-carboxamide
CID 79048562
N-(5-bromo-6-methyl-2-pyridinyl)-4-chloro-1H-pyrrole-2-carboxamide
CID 79049259
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide
CID 71987347
N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide
CID 79116772
N-(5-bromo-6-methyl-2-pyridinyl)-3-chloro-4-methoxybenzamide
CID 1396763

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide (CID 4509262) is N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide is Cc1nc(NC(=O)c2cc(I)ccc2Cl)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide?
The InChIKey is IXEJISANEICOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClIN2O/c1-7-10(14)3-5-12(17-7)18-13(19)9-6-8(16)2-4-11(9)15/h2-6H,1H3,(H,17,18,19).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide?
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide has a molecular weight of 451.49 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide is sourced from PubChem (CID 4509262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).