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

C13H8BrCl3N2O — CID 104723154

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2nc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C13H8BrCl3N2O/c1-6-4-7(14)10(5-9(6)16)18-13(20)12-8(15)2-3-11(17)19-12/h2-5H,1H3,(H,18,20)
InChIKeyLKJCSTZJTSMMKJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.37
Rot. Bonds2

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

N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide (PubChem CID 104723154) has the molecular formula C13H8BrCl3N2O and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
PubChem CID104723154
Molecular FormulaC13H8BrCl3N2O
Molecular Weight394.48 g/mol
Exact Mass391.89
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2nc(Cl)ccc2Cl)cc1Cl
InChIInChI=1S/C13H8BrCl3N2O/c1-6-4-7(14)10(5-9(6)16)18-13(20)12-8(15)2-3-11(17)19-12/h2-5H,1H3,(H,18,20)
InChIKeyLKJCSTZJTSMMKJ-UHFFFAOYSA-N
XLogP5.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.37
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

N-(6-bromo-2-methyl-3-pyridinyl)-3,6-dichloropyridine-2-carboxamide
CID 103909595
3,6-dichloro-N-(2-methylphenyl)pyridine-2-carboxamide
CID 26914379
N-(4-bromo-2,5-difluorophenyl)-3,6-dichloropyridine-2-carboxamide
CID 103842592
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
3,6-dichloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-2-carboxamide
CID 61052606
6-amino-N-(2-bromo-5-methylphenyl)-3-chloropyridine-2-carboxamide
CID 82758071
N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide
CID 114918857
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
N-(2-bromo-5-chloro-4-methylphenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide
CID 104725016
3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 60651020
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381565

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide (CID 104723154) is N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide is Cc1cc(Br)c(NC(=O)c2nc(Cl)ccc2Cl)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide?
The InChIKey is LKJCSTZJTSMMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl3N2O/c1-6-4-7(14)10(5-9(6)16)18-13(20)12-8(15)2-3-11(17)19-12/h2-5H,1H3,(H,18,20).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide?
N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide is sourced from PubChem (CID 104723154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).