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

C13H8BrCl3N2O — CID 114918857

IUPACN-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cc(Cl)ncc2Cl)cc1Cl
InChIInChI=1S/C13H8BrCl3N2O/c1-6-2-8(14)11(4-9(6)15)19-13(20)7-3-12(17)18-5-10(7)16/h2-5H,1H3,(H,19,20)
InChIKeyNPNRIAQQZRJIKS-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.37
Rot. Bonds2

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

N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide (PubChem CID 114918857) 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)-2,5-dichloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide
PubChem CID114918857
Molecular FormulaC13H8BrCl3N2O
Molecular Weight394.48 g/mol
Exact Mass391.89
IUPAC NameN-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cc(Cl)ncc2Cl)cc1Cl
InChIInChI=1S/C13H8BrCl3N2O/c1-6-2-8(14)11(4-9(6)15)19-13(20)7-3-12(17)18-5-10(7)16/h2-5H,1H3,(H,19,20)
InChIKeyNPNRIAQQZRJIKS-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-(2-bromo-5-chloro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105381565
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
N-(2-bromo-5-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 104724000
2,5-dichloro-N-(4-fluoro-2-methylphenyl)pyridine-4-carboxamide
CID 114917077
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylamino)pyridine-3-carboxamide
CID 104725128
N-(2-bromo-3-pyridinyl)-2,5-dichloropyridine-4-carboxamide
CID 102610051
N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 104724206
N-(2-bromo-5-chloro-4-methylphenyl)-3,6-dichloropyridine-2-carboxamide
CID 104723154
N-(2-bromo-5-chloro-4-methylphenyl)-2-fluorobenzamide
CID 104723165
2-bromo-N-(2-bromo-5-chloro-4-methylphenyl)-5-fluorobenzamide
CID 104724173
2,5-dichloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 114917035
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide?
The IUPAC name of N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide (CID 114918857) is N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide is Cc1cc(Br)c(NC(=O)c2cc(Cl)ncc2Cl)cc1Cl.
What is the InChIKey of N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide?
The InChIKey is NPNRIAQQZRJIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl3N2O/c1-6-2-8(14)11(4-9(6)15)19-13(20)7-3-12(17)18-5-10(7)16/h2-5H,1H3,(H,19,20).
What are the key properties of N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-carboxamide?
N-(2-bromo-5-chloro-4-methylphenyl)-2,5-dichloropyridine-4-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)-2,5-dichloropyridine-4-carboxamide is sourced from PubChem (CID 114918857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).