2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide

C13H9Br3N2O — CID 114036150

IUPAC2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cccnc2Br)c(Br)c1
InChIInChI=1S/C13H9Br3N2O/c1-7-5-9(14)11(10(15)6-7)18-13(19)8-3-2-4-17-12(8)16/h2-6H,1H3,(H,18,19)
InChIKeyCUCVAUXAJPHTHG-UHFFFAOYSA-N
MW448.94 g/mol
LogP4.93
Rot. Bonds2

About 2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide

2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide (PubChem CID 114036150) has the molecular formula C13H9Br3N2O and a molecular weight of 448.94 g/mol. Its IUPAC name is 2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide
PubChem CID114036150
Molecular FormulaC13H9Br3N2O
Molecular Weight448.94 g/mol
Exact Mass445.83
IUPAC Name2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cccnc2Br)c(Br)c1
InChIInChI=1S/C13H9Br3N2O/c1-7-5-9(14)11(10(15)6-7)18-13(19)8-3-2-4-17-12(8)16/h2-6H,1H3,(H,18,19)
InChIKeyCUCVAUXAJPHTHG-UHFFFAOYSA-N
XLogP4.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.94
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2,6-dibromophenyl)pyridine-3-carboxamide
CID 114036184
2-bromo-N-(4-bromo-2,6-dimethylphenyl)pyridine-3-carboxamide
CID 103758995
2-bromo-N-(3-bromo-4-methylphenyl)pyridine-3-carboxamide
CID 113255532
N-(2,6-dibromo-4-methylphenyl)-2-(methylamino)benzamide
CID 61377648
2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
2-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 113255059
2-bromo-N-(2-fluoro-5-methylphenyl)pyridine-3-carboxamide
CID 103752054
2-amino-N-(2,4,6-tribromophenyl)pyridine-3-carboxamide
CID 62156294
2-bromo-N-(2-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 104870910
2-bromo-N-(5-fluoro-2-methylphenyl)pyridine-3-carboxamide
CID 113255067
2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 103755613
2-amino-3-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 115540020

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide (CID 114036150) is 2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide is Cc1cc(Br)c(NC(=O)c2cccnc2Br)c(Br)c1.
What is the InChIKey of 2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is CUCVAUXAJPHTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br3N2O/c1-7-5-9(14)11(10(15)6-7)18-13(19)8-3-2-4-17-12(8)16/h2-6H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide?
2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 448.94 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 114036150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).