N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide

C13H9BrClN5O — CID 107801433

IUPACN-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C13H9BrClN5O/c14-9-2-1-7(6-16)10(5-9)18-13(21)8-3-11(15)19-12(4-8)20-17/h1-5H,17H2,(H,18,21)(H,19,20)
InChIKeyNKFYOALYNWYSLJ-UHFFFAOYSA-N
MW366.61 g/mol
LogP2.91
Rot. Bonds3

About N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide

N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide (PubChem CID 107801433) has the molecular formula C13H9BrClN5O and a molecular weight of 366.61 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
PubChem CID107801433
Molecular FormulaC13H9BrClN5O
Molecular Weight366.61 g/mol
Exact Mass364.97
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C13H9BrClN5O/c14-9-2-1-7(6-16)10(5-9)18-13(21)8-3-11(15)19-12(4-8)20-17/h1-5H,17H2,(H,18,21)(H,19,20)
InChIKeyNKFYOALYNWYSLJ-UHFFFAOYSA-N
XLogP2.91
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.61
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
CID 104880244
4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide
CID 107796977
N-(4-bromo-2,5-difluorophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 107616840
2-chloro-N-(2-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62247770
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
2-amino-N-(5-bromo-2-methylphenyl)-6-chloropyridine-4-carboxamide
CID 62159768
N-(5-bromo-2-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62181788
N-(5-bromo-2-cyanophenyl)-6-(methylamino)pyridine-2-carboxamide
CID 107801255
3-amino-4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 107796982
4-amino-N-(5-bromo-2-cyanophenyl)-3-methylbenzamide
CID 107796910

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide (CID 107801433) is N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide is N#Cc1ccc(Br)cc1NC(=O)c1cc(Cl)nc(NN)c1.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
The InChIKey is NKFYOALYNWYSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN5O/c14-9-2-1-7(6-16)10(5-9)18-13(21)8-3-11(15)19-12(4-8)20-17/h1-5H,17H2,(H,18,21)(H,19,20).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide?
N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide has a molecular weight of 366.61 g/mol, XLogP of 2.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 107801433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).