5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide

C12H9BrCl2N4O — CID 65498887

IUPAC5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H9BrCl2N4O/c13-6-4-7(11(19-16)17-5-6)12(20)18-10-8(14)2-1-3-9(10)15/h1-5H,16H2,(H,17,19)(H,18,20)
InChIKeyQHZMNIHLLZPTTI-UHFFFAOYSA-N
MW376.04 g/mol
LogP3.69
Rot. Bonds3

About 5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide

5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide (PubChem CID 65498887) has the molecular formula C12H9BrCl2N4O and a molecular weight of 376.04 g/mol. Its IUPAC name is 5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide
PubChem CID65498887
Molecular FormulaC12H9BrCl2N4O
Molecular Weight376.04 g/mol
Exact Mass373.93
IUPAC Name5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide
SMILESNNc1ncc(Br)cc1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C12H9BrCl2N4O/c13-6-4-7(11(19-16)17-5-6)12(20)18-10-8(14)2-1-3-9(10)15/h1-5H,16H2,(H,17,19)(H,18,20)
InChIKeyQHZMNIHLLZPTTI-UHFFFAOYSA-N
XLogP3.69
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.04
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2,6-dichlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 65499656
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
5-bromo-N-(2-bromo-4,6-difluorophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62243354
N-(1H-benzimidazol-2-yl)-5-bromo-2-hydrazinylpyridine-3-carboxamide
CID 63565103
5-bromo-N-(2-chlorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166736
5-bromo-N-(5-chloro-2-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62237098
5-chloro-N-(2,6-dibromophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107603472
5-bromo-N-(4-cyanophenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62249046
N-(2,6-dichlorophenyl)-5-hydrazinylpyridine-2-carboxamide
CID 113436364
5-bromo-N-(3-chloro-2-fluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 62166293
5-bromo-2-hydrazinyl-N-[4-(2-hydroxyethyl)phenyl]pyridine-3-carboxamide
CID 62236794
5-bromo-N-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62236676

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide (CID 65498887) is 5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide is NNc1ncc(Br)cc1C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide?
The InChIKey is QHZMNIHLLZPTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N4O/c13-6-4-7(11(19-16)17-5-6)12(20)18-10-8(14)2-1-3-9(10)15/h1-5H,16H2,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide?
5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide has a molecular weight of 376.04 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,6-dichlorophenyl)-2-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 65498887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).