5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide

C13H9Br2ClN2O — CID 62001176

IUPAC5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)cnc2Cl)c(Br)c1
InChIInChI=1S/C13H9Br2ClN2O/c1-7-2-3-11(10(15)4-7)18-13(19)9-5-8(14)6-17-12(9)16/h2-6H,1H3,(H,18,19)
InChIKeyDJBJORGDAIZENU-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.82
Rot. Bonds2

About 5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide

5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide (PubChem CID 62001176) has the molecular formula C13H9Br2ClN2O and a molecular weight of 404.49 g/mol. Its IUPAC name is 5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
PubChem CID62001176
Molecular FormulaC13H9Br2ClN2O
Molecular Weight404.49 g/mol
Exact Mass401.88
IUPAC Name5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)cnc2Cl)c(Br)c1
InChIInChI=1S/C13H9Br2ClN2O/c1-7-2-3-11(10(15)4-7)18-13(19)9-5-8(14)6-17-12(9)16/h2-6H,1H3,(H,18,19)
InChIKeyDJBJORGDAIZENU-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866
5-bromo-N-(2-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62165434
5-bromo-2-chloro-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 62001368
5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 65491463
2-amino-5-bromo-N-(2-bromo-4-chlorophenyl)pyridine-3-carboxamide
CID 81275368
5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
CID 59781136
2-chloro-N-(2-chloro-4-methylphenyl)-5-nitropyridine-3-carboxamide
CID 103817011
N-(2-bromo-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 17173642
5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62000214
5-amino-N-(2-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 107373934
5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide
CID 82818718
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide (CID 62001176) is 5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc(Br)cnc2Cl)c(Br)c1.
What is the InChIKey of 5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide?
The InChIKey is DJBJORGDAIZENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClN2O/c1-7-2-3-11(10(15)4-7)18-13(19)9-5-8(14)6-17-12(9)16/h2-6H,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide?
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 62001176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).