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

C11H8Cl2N4O2 — CID 135689798

IUPAC5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C/c2cc(Cl)ccc2O)c1Cl
InChIInChI=1S/C11H8Cl2N4O2/c12-7-1-2-9(18)6(3-7)4-14-16-8-5-15-17-11(19)10(8)13/h1-5,18H,(H2,16,17,19)/b14-4+
InChIKeyDDOVUKJAYJIVPI-LNKIKWGQSA-N
MW299.12 g/mol
LogP2.23
Rot. Bonds3

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

5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 135689798) has the molecular formula C11H8Cl2N4O2 and a molecular weight of 299.12 g/mol. Its IUPAC name is 5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID135689798
Molecular FormulaC11H8Cl2N4O2
Molecular Weight299.12 g/mol
Exact Mass298.00
IUPAC Name5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C/c2cc(Cl)ccc2O)c1Cl
InChIInChI=1S/C11H8Cl2N4O2/c12-7-1-2-9(18)6(3-7)4-14-16-8-5-15-17-11(19)10(8)13/h1-5,18H,(H2,16,17,19)/b14-4+
InChIKeyDDOVUKJAYJIVPI-LNKIKWGQSA-N
XLogP2.23
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze 5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-4-[(2E)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135689804
5-chloro-4-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790362
5-chloro-4-[2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 3476263
5-chloro-4-[(2Z)-2-[(2-chloro-3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 110509828
5-bromo-4-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2792836
5-chloro-4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790382
5-chloro-4-[(2Z)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 7745615
5-chloro-4-[(2Z)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 136786987
4-[(2Z)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-5-chloro-1H-pyridazin-6-one
CID 136926282
5-chloro-4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one
CID 135606125
5-chloro-4-[(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 135704566
5-chloro-4-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
CID 2790384

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 135689798) is 5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is O=c1[nH]ncc(N/N=C/c2cc(Cl)ccc2O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is DDOVUKJAYJIVPI-LNKIKWGQSA-N. The full InChI is InChI=1S/C11H8Cl2N4O2/c12-7-1-2-9(18)6(3-7)4-14-16-8-5-15-17-11(19)10(8)13/h1-5,18H,(H2,16,17,19)/b14-4+.
What are the key properties of 5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 299.12 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2E)-2-[(5-chloro-2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 135689798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).