4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol

C13H13ClN4O3 — CID 135676000

IUPAC4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/Nc2ccc(Cl)nn2)cc(OC)c1O
InChIInChI=1S/C13H13ClN4O3/c1-20-9-5-8(6-10(21-2)13(9)19)7-15-17-12-4-3-11(14)16-18-12/h3-7,19H,1-2H3,(H,17,18)/b15-7+
InChIKeyFDJJSDLIZMNGRI-VIZOYTHASA-N
MW308.73 g/mol
LogP2.30
Rot. Bonds5

About 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol

4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol (PubChem CID 135676000) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
PubChem CID135676000
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC Name4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
SMILESCOc1cc(/C=N/Nc2ccc(Cl)nn2)cc(OC)c1O
InChIInChI=1S/C13H13ClN4O3/c1-20-9-5-8(6-10(21-2)13(9)19)7-15-17-12-4-3-11(14)16-18-12/h3-7,19H,1-2H3,(H,17,18)/b15-7+
InChIKeyFDJJSDLIZMNGRI-VIZOYTHASA-N
XLogP2.30
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol (CID 135676000) is 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol is COc1cc(/C=N/Nc2ccc(Cl)nn2)cc(OC)c1O.
What is the InChIKey of 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
The InChIKey is FDJJSDLIZMNGRI-VIZOYTHASA-N. The full InChI is InChI=1S/C13H13ClN4O3/c1-20-9-5-8(6-10(21-2)13(9)19)7-15-17-12-4-3-11(14)16-18-12/h3-7,19H,1-2H3,(H,17,18)/b15-7+.
What are the key properties of 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol?
4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol has a molecular weight of 308.73 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol is sourced from PubChem (CID 135676000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).