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

C11H5BrCl3N3O — CID 102979453

IUPACN-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1cc(Br)cnc1Cl)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H5BrCl3N3O/c12-5-3-7(10(15)16-4-5)17-11(19)6-1-2-8(13)18-9(6)14/h1-4H,(H,17,19)
InChIKeyWPAXCGVMAAYWCP-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.45
Rot. Bonds2

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

N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide (PubChem CID 102979453) has the molecular formula C11H5BrCl3N3O and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
PubChem CID102979453
Molecular FormulaC11H5BrCl3N3O
Molecular Weight381.44 g/mol
Exact Mass378.87
IUPAC NameN-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
SMILESO=C(Nc1cc(Br)cnc1Cl)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H5BrCl3N3O/c12-5-3-7(10(15)16-4-5)17-11(19)6-1-2-8(13)18-9(6)14/h1-4H,(H,17,19)
InChIKeyWPAXCGVMAAYWCP-UHFFFAOYSA-N
XLogP4.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.45
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-(5-bromo-2-chloro-3-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 102979497
N-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103718984
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide
CID 91641935
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
CID 104880244
N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979134
N-(2-bromo-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 103819258
N-(2-bromo-5-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103753494
N-(4-bromo-2,5-difluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103842670
2-bromo-N-(5-bromo-2-chloro-3-pyridinyl)-5-methoxybenzamide
CID 102979484
N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
CID 102979160
N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide
CID 102979115

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide (CID 102979453) is N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide is O=C(Nc1cc(Br)cnc1Cl)c1ccc(Cl)nc1Cl.
What is the InChIKey of N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide?
The InChIKey is WPAXCGVMAAYWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl3N3O/c12-5-3-7(10(15)16-4-5)17-11(19)6-1-2-8(13)18-9(6)14/h1-4H,(H,17,19).
What are the key properties of N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide?
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 102979453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).