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

C13H6BrCl2N3O — CID 104880244

IUPACN-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H6BrCl2N3O/c14-8-2-1-7(6-17)10(5-8)18-13(20)9-3-4-11(15)19-12(9)16/h1-5H,(H,18,20)
InChIKeyJADBGPBVQZNVBP-UHFFFAOYSA-N
MW371.02 g/mol
LogP4.27
Rot. Bonds2

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

N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide (PubChem CID 104880244) has the molecular formula C13H6BrCl2N3O and a molecular weight of 371.02 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
PubChem CID104880244
Molecular FormulaC13H6BrCl2N3O
Molecular Weight371.02 g/mol
Exact Mass368.91
IUPAC NameN-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H6BrCl2N3O/c14-8-2-1-7(6-17)10(5-8)18-13(20)9-3-4-11(15)19-12(9)16/h1-5H,(H,18,20)
InChIKeyJADBGPBVQZNVBP-UHFFFAOYSA-N
XLogP4.27
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.02
LogP ≤ 54.27
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-fluorophenyl)-2,6-dichloropyridine-3-carboxamide
CID 103718984
4-amino-N-(5-bromo-2-cyanophenyl)-2-chlorobenzamide
CID 107796924
N-(5-bromo-2-chloro-3-pyridinyl)-2,6-dichloropyridine-3-carboxamide
CID 102979453
N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide
CID 107801633
N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 104880179
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide
CID 104880416
N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 107801433
N-(5-bromo-2-cyanophenyl)-2,3-difluoropyridine-4-carboxamide
CID 107470730
N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
CID 107801239
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
N-(5-bromo-2-oxo-1H-pyridin-3-yl)-2,6-dichloropyridine-3-carboxamide
CID 91641935

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide (CID 104880244) is N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide is N#Cc1ccc(Br)cc1NC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide?
The InChIKey is JADBGPBVQZNVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2N3O/c14-8-2-1-7(6-17)10(5-8)18-13(20)9-3-4-11(15)19-12(9)16/h1-5H,(H,18,20).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide?
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide has a molecular weight of 371.02 g/mol, XLogP of 4.27, 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-cyanophenyl)-2,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 104880244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).