5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one

C13H12BrClN4O3 — CID 136787477

IUPAC5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
SMILESCOc1cc(Br)cc(/C=N\Nc2cnn(C)c(=O)c2Cl)c1O
InChIInChI=1S/C13H12BrClN4O3/c1-19-13(21)11(15)9(6-17-19)18-16-5-7-3-8(14)4-10(22-2)12(7)20/h3-6,18,20H,1-2H3/b16-5-
InChIKeyZGLWEZQXRIELAR-BNCCVWRVSA-N
MW387.62 g/mol
LogP2.36
Rot. Bonds4

About 5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one

5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one (PubChem CID 136787477) has the molecular formula C13H12BrClN4O3 and a molecular weight of 387.62 g/mol. Its IUPAC name is 5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
PubChem CID136787477
Molecular FormulaC13H12BrClN4O3
Molecular Weight387.62 g/mol
Exact Mass385.98
IUPAC Name5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
SMILESCOc1cc(Br)cc(/C=N\Nc2cnn(C)c(=O)c2Cl)c1O
InChIInChI=1S/C13H12BrClN4O3/c1-19-13(21)11(15)9(6-17-19)18-16-5-7-3-8(14)4-10(22-2)12(7)20/h3-6,18,20H,1-2H3/b16-5-
InChIKeyZGLWEZQXRIELAR-BNCCVWRVSA-N
XLogP2.36
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.62
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 136926282
4-chloro-5-[(2Z)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-methylpyridazin-3-one
CID 136787497
5-[(2Z)-2-[(3-bromo-4-hydroxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
CID 136787482
4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704655
5-[(2Z)-2-[(2-bromo-3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-phenylpyridazin-3-one
CID 112538291
2-[(2E)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 135713651
4-bromo-2-[[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 4244298
5-[(2Z)-2-[(3-bromo-4-ethoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
CID 110512437
2-benzyl-5-[(2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-4-chloropyridazin-3-one
CID 135704539
4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]pyridazin-3-one
CID 110512658
5-bromo-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 136882425
4-chloro-5-[(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-phenylpyridazin-3-one
CID 136732809

Frequently Asked Questions

What is the IUPAC name of 5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one (CID 136787477) is 5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one is COc1cc(Br)cc(/C=N\Nc2cnn(C)c(=O)c2Cl)c1O.
What is the InChIKey of 5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one?
The InChIKey is ZGLWEZQXRIELAR-BNCCVWRVSA-N. The full InChI is InChI=1S/C13H12BrClN4O3/c1-19-13(21)11(15)9(6-17-19)18-16-5-7-3-8(14)4-10(22-2)12(7)20/h3-6,18,20H,1-2H3/b16-5-.
What are the key properties of 5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one?
5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one has a molecular weight of 387.62 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 136787477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).