2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide

C13H9Br2ClN2O2 — CID 102979484

IUPAC2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cc(Br)cnc2Cl)c1
InChIInChI=1S/C13H9Br2ClN2O2/c1-20-8-2-3-10(15)9(5-8)13(19)18-11-4-7(14)6-17-12(11)16/h2-6H,1H3,(H,18,19)
InChIKeyACQGPSJZVWTCSQ-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.52
Rot. Bonds3

About 2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide

2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide (PubChem CID 102979484) has the molecular formula C13H9Br2ClN2O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide
PubChem CID102979484
Molecular FormulaC13H9Br2ClN2O2
Molecular Weight420.49 g/mol
Exact Mass417.87
IUPAC Name2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2cc(Br)cnc2Cl)c1
InChIInChI=1S/C13H9Br2ClN2O2/c1-20-8-2-3-10(15)9(5-8)13(19)18-11-4-7(14)6-17-12(11)16/h2-6H,1H3,(H,18,19)
InChIKeyACQGPSJZVWTCSQ-UHFFFAOYSA-N
XLogP4.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.52
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

2-bromo-N-(5-bromo-2-chlorophenyl)-5-methoxybenzamide
CID 62908603
2-bromo-N-(2,5-dichlorophenyl)-5-methoxybenzamide
CID 7899907
2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide
CID 103479738
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
N-(2-bromo-5-methoxyphenyl)-5,6-dichloropyridine-3-carboxamide
CID 62416422
2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
CID 104856860
2-bromo-N-(2,6-dichlorophenyl)-5-methoxybenzamide
CID 60629817
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 102979453
2-bromo-N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxybenzamide
CID 103909645
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 102979497
2-bromo-N-(5-fluoro-2-pyridinyl)-5-methoxybenzamide
CID 62877597
2-bromo-5-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 27645934

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide (CID 102979484) is 2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide is COc1ccc(Br)c(C(=O)Nc2cc(Br)cnc2Cl)c1.
What is the InChIKey of 2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide?
The InChIKey is ACQGPSJZVWTCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br2ClN2O2/c1-20-8-2-3-10(15)9(5-8)13(19)18-11-4-7(14)6-17-12(11)16/h2-6H,1H3,(H,18,19).
What are the key properties of 2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide?
2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide has a molecular weight of 420.49 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide is sourced from PubChem (CID 102979484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).