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

C12H10Cl2N4O3 — CID 135689805

IUPAC5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCOc1cc(/C=N/Nc2cn[nH]c(=O)c2Cl)cc(Cl)c1O
InChIInChI=1S/C12H10Cl2N4O3/c1-21-9-3-6(2-7(13)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+
InChIKeyWOFYBHFVEJLVEP-SYZQJQIISA-N
MW329.14 g/mol
LogP2.24
Rot. Bonds4

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

5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 135689805) has the molecular formula C12H10Cl2N4O3 and a molecular weight of 329.14 g/mol. Its IUPAC name is 5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID135689805
Molecular FormulaC12H10Cl2N4O3
Molecular Weight329.14 g/mol
Exact Mass328.01
IUPAC Name5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESCOc1cc(/C=N/Nc2cn[nH]c(=O)c2Cl)cc(Cl)c1O
InChIInChI=1S/C12H10Cl2N4O3/c1-21-9-3-6(2-7(13)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+
InChIKeyWOFYBHFVEJLVEP-SYZQJQIISA-N
XLogP2.24
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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
5-chloro-4-[(2Z)-2-[(2-chloro-3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509828
5-chloro-4-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135704566
5-chloro-4-[(2E)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135689804
5-chloro-4-[(2Z)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509805
[4-[(E)-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 110341005
5-chloro-4-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509803
4-[2-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 2791389
5-chloro-4-[(2Z)-2-[(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509782
methyl 4-[(E)-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]methyl]benzoate
CID 110337939
2-chloro-4-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 135622259
5-chloro-4-[(2E)-2-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110340162

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 135689805) is 5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is COc1cc(/C=N/Nc2cn[nH]c(=O)c2Cl)cc(Cl)c1O.
What is the InChIKey of 5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is WOFYBHFVEJLVEP-SYZQJQIISA-N. The full InChI is InChI=1S/C12H10Cl2N4O3/c1-21-9-3-6(2-7(13)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 5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 329.14 g/mol, XLogP of 2.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2E)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 135689805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).