N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide

C11H9BrIN5O — CID 114261584

IUPACN-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)Nc2ccc(Br)c(I)c2)nn1
InChIInChI=1S/C11H9BrIN5O/c12-7-2-1-6(5-8(7)13)15-11(19)9-3-4-10(16-14)18-17-9/h1-5H,14H2,(H,15,19)(H,16,18)
InChIKeyLAINAAYROYWIMV-UHFFFAOYSA-N
MW434.04 g/mol
LogP2.38
Rot. Bonds3

About N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide

N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide (PubChem CID 114261584) has the molecular formula C11H9BrIN5O and a molecular weight of 434.04 g/mol. Its IUPAC name is N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide
PubChem CID114261584
Molecular FormulaC11H9BrIN5O
Molecular Weight434.04 g/mol
Exact Mass432.90
IUPAC NameN-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide
SMILESNNc1ccc(C(=O)Nc2ccc(Br)c(I)c2)nn1
InChIInChI=1S/C11H9BrIN5O/c12-7-2-1-6(5-8(7)13)15-11(19)9-3-4-10(16-14)18-17-9/h1-5H,14H2,(H,15,19)(H,16,18)
InChIKeyLAINAAYROYWIMV-UHFFFAOYSA-N
XLogP2.38
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.04
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247763
6-hydrazinyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 62242357
N-(4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62249751
N-(4-bromo-2,5-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 107616833
6-hydrazinyl-N-(2-iodophenyl)pyridazine-3-carboxamide
CID 62243106
6-hydrazinyl-N-(3-sulfamoylphenyl)pyridazine-3-carboxamide
CID 62236922
N-(3,5-dichloro-4-fluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 107578968
6-hydrazinyl-N-pyrimidin-5-ylpyridazine-3-carboxamide
CID 107590030
N-(4-ethylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62248142
N-(4-bromo-3-fluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 65435257
N-(2-chloro-4-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 107606112
6-hydrazinyl-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 55051032

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide?
The IUPAC name of N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide (CID 114261584) is N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide is NNc1ccc(C(=O)Nc2ccc(Br)c(I)c2)nn1.
What is the InChIKey of N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide?
The InChIKey is LAINAAYROYWIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrIN5O/c12-7-2-1-6(5-8(7)13)15-11(19)9-3-4-10(16-14)18-17-9/h1-5H,14H2,(H,15,19)(H,16,18).
What are the key properties of N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide?
N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide has a molecular weight of 434.04 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-iodophenyl)-6-hydrazinylpyridazine-3-carboxamide is sourced from PubChem (CID 114261584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).