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

C13H9BrCl2N2O2 — CID 62416422

IUPACN-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)c2cnc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H9BrCl2N2O2/c1-20-8-2-3-9(14)11(5-8)18-13(19)7-4-10(15)12(16)17-6-7/h2-6H,1H3,(H,18,19)
InChIKeyDCZIUWDXXMCNLJ-UHFFFAOYSA-N
MW376.04 g/mol
LogP4.41
Rot. Bonds3

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

N-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide (PubChem CID 62416422) has the molecular formula C13H9BrCl2N2O2 and a molecular weight of 376.04 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide
PubChem CID62416422
Molecular FormulaC13H9BrCl2N2O2
Molecular Weight376.04 g/mol
Exact Mass373.92
IUPAC NameN-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide
SMILESCOc1ccc(Br)c(NC(=O)c2cnc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H9BrCl2N2O2/c1-20-8-2-3-9(14)11(5-8)18-13(19)7-4-10(15)12(16)17-6-7/h2-6H,1H3,(H,18,19)
InChIKeyDCZIUWDXXMCNLJ-UHFFFAOYSA-N
XLogP4.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.04
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-methoxyphenyl)-6-chloropyridine-3-carboxamide
CID 62416612
N-(2-bromo-5-methoxyphenyl)-3-chloro-4-methylbenzamide
CID 63235634
N-(2-bromo-5-methoxyphenyl)-2-chloropyridine-4-carboxamide
CID 62415651
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
N-(2-bromo-5-chlorophenyl)-4-methoxybenzamide
CID 81271849
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866
2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide
CID 102979484
N-(5-bromo-6-methyl-2-pyridinyl)-5,6-dichloropyridine-3-carboxamide
CID 79048562
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-hydroxybenzamide
CID 103956729
5-bromo-N-(2-bromo-5-methoxyphenyl)thiophene-3-carboxamide
CID 62415455
3-bromo-N-(2-bromo-5-methoxyphenyl)-2-chlorobenzamide
CID 103989322

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide (CID 62416422) is N-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide is COc1ccc(Br)c(NC(=O)c2cnc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide?
The InChIKey is DCZIUWDXXMCNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2N2O2/c1-20-8-2-3-9(14)11(5-8)18-13(19)7-4-10(15)12(16)17-6-7/h2-6H,1H3,(H,18,19).
What are the key properties of N-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide?
N-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide has a molecular weight of 376.04 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 62416422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).