4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one

C12H10BrClN4O3 — CID 136926282

IUPAC4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
SMILESCOc1cc(Br)cc(/C=N\Nc2cn[nH]c(=O)c2Cl)c1O
InChIInChI=1S/C12H10BrClN4O3/c1-21-9-3-7(13)2-6(11(9)19)4-15-17-8-5-16-18-12(20)10(8)14/h2-5,19H,1H3,(H2,17,18,20)/b15-4-
InChIKeyAJRIFTIEHYLQBR-TVPGTPATSA-N
MW373.59 g/mol
LogP2.35
Rot. Bonds4

About 4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one

4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one (PubChem CID 136926282) has the molecular formula C12H10BrClN4O3 and a molecular weight of 373.59 g/mol. Its IUPAC name is 4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
PubChem CID136926282
Molecular FormulaC12H10BrClN4O3
Molecular Weight373.59 g/mol
Exact Mass371.96
IUPAC Name4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
SMILESCOc1cc(Br)cc(/C=N\Nc2cn[nH]c(=O)c2Cl)c1O
InChIInChI=1S/C12H10BrClN4O3/c1-21-9-3-7(13)2-6(11(9)19)4-15-17-8-5-16-18-12(20)10(8)14/h2-5,19H,1H3,(H2,17,18,20)/b15-4-
InChIKeyAJRIFTIEHYLQBR-TVPGTPATSA-N
XLogP2.35
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.59
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

5-chloro-4-[(2Z)-2-[(2-chloro-3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509828
5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135689805
5-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-chloro-2-methylpyridazin-3-one
CID 136787477
5-chloro-4-[(2E)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135689804
5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 136786987
4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 2791389
4-bromo-2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704655
5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135689798
5-chloro-4-[(2Z)-2-[(2-ethoxy-3-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 112538082
5-chloro-4-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135704566
[4-[(E)-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 110341005
2-[(2E)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 135713651

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one?
The IUPAC name of 4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one (CID 136926282) is 4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one?
The canonical SMILES for 4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one is COc1cc(Br)cc(/C=N\Nc2cn[nH]c(=O)c2Cl)c1O.
What is the InChIKey of 4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one?
The InChIKey is AJRIFTIEHYLQBR-TVPGTPATSA-N. The full InChI is InChI=1S/C12H10BrClN4O3/c1-21-9-3-7(13)2-6(11(9)19)4-15-17-8-5-16-18-12(20)10(8)14/h2-5,19H,1H3,(H2,17,18,20)/b15-4-.
What are the key properties of 4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one?
4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one has a molecular weight of 373.59 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one is sourced from PubChem (CID 136926282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).