N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide

C11H8BrIN2OS — CID 79116772

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide
SMILESCc1nc(NC(=O)c2csc(I)c2)ccc1Br
InChIInChI=1S/C11H8BrIN2OS/c1-6-8(12)2-3-10(14-6)15-11(16)7-4-9(13)17-5-7/h2-5H,1H3,(H,14,15,16)
InChIKeyGIJJDTDTFPWYMV-UHFFFAOYSA-N
MW423.07 g/mol
LogP4.07
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide (PubChem CID 79116772) has the molecular formula C11H8BrIN2OS and a molecular weight of 423.07 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide
PubChem CID79116772
Molecular FormulaC11H8BrIN2OS
Molecular Weight423.07 g/mol
Exact Mass421.86
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide
SMILESCc1nc(NC(=O)c2csc(I)c2)ccc1Br
InChIInChI=1S/C11H8BrIN2OS/c1-6-8(12)2-3-10(14-6)15-11(16)7-4-9(13)17-5-7/h2-5H,1H3,(H,14,15,16)
InChIKeyGIJJDTDTFPWYMV-UHFFFAOYSA-N
XLogP4.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.07
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)thiophene-3-carboxamide
CID 79048508
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxybenzamide
CID 79049112
3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-5-methylbenzamide
CID 113460607
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
CID 4509260
N-(2,6-dibromo-4-methylphenyl)-5-iodothiophene-3-carboxamide
CID 79694128
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 79048356
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide
CID 4509262
N-(5-bromo-6-methyl-2-pyridinyl)-3-methylsulfonylbenzamide
CID 79041374
N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 79048580
N-(5-bromo-6-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 79049145
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide
CID 71987347

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide (CID 79116772) is N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide is Cc1nc(NC(=O)c2csc(I)c2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide?
The InChIKey is GIJJDTDTFPWYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrIN2OS/c1-6-8(12)2-3-10(14-6)15-11(16)7-4-9(13)17-5-7/h2-5H,1H3,(H,14,15,16).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide has a molecular weight of 423.07 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide is sourced from PubChem (CID 79116772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).