N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide

C13H9BrCl2N2O — CID 7929866

IUPACN-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C13H9BrCl2N2O/c1-7-2-3-11(9(14)4-7)18-13(19)8-5-10(15)12(16)17-6-8/h2-6H,1H3,(H,18,19)
InChIKeyHLPATMSTVHLKSB-UHFFFAOYSA-N
MW360.04 g/mol
LogP4.71
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide

N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide (PubChem CID 7929866) has the molecular formula C13H9BrCl2N2O and a molecular weight of 360.04 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
PubChem CID7929866
Molecular FormulaC13H9BrCl2N2O
Molecular Weight360.04 g/mol
Exact Mass357.93
IUPAC NameN-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)c(Br)c1
InChIInChI=1S/C13H9BrCl2N2O/c1-7-2-3-11(9(14)4-7)18-13(19)8-5-10(15)12(16)17-6-8/h2-6H,1H3,(H,18,19)
InChIKeyHLPATMSTVHLKSB-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.04
LogP ≤ 54.71
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

5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
CID 62001176
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
N-(2-bromo-4-methylphenyl)-6-fluoropyridine-3-carboxamide
CID 63973713
N-(2-bromo-4-methylphenyl)pyrimidine-5-carboxamide
CID 110862940
N-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide
CID 62416422
5,6-dichloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 106834615
N-(5-bromo-6-methyl-2-pyridinyl)-5,6-dichloropyridine-3-carboxamide
CID 79048562
N-(2-bromo-4-chlorophenyl)-6-methylpyridine-3-carboxamide
CID 81024583
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 27687750
N-(2-bromo-4-methylphenyl)-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247618
N-(2-bromo-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249495
5-chloro-2-[(5,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 43092327

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide (CID 7929866) is N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide is Cc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide?
The InChIKey is HLPATMSTVHLKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O/c1-7-2-3-11(9(14)4-7)18-13(19)8-5-10(15)12(16)17-6-8/h2-6H,1H3,(H,18,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide?
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide has a molecular weight of 360.04 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 7929866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).