2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol

C11H9ClN4O — CID 135613377

IUPAC2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1ccc(Cl)nn1
InChIInChI=1S/C11H9ClN4O/c12-10-5-6-11(16-14-10)15-13-7-8-3-1-2-4-9(8)17/h1-7,17H,(H,15,16)/b13-7+
InChIKeyNDNNYDRNWPISJA-NTUHNPAUSA-N
MW248.67 g/mol
LogP2.28
Rot. Bonds3

About 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol

2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol (PubChem CID 135613377) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
PubChem CID135613377
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1ccc(Cl)nn1
InChIInChI=1S/C11H9ClN4O/c12-10-5-6-11(16-14-10)15-13-7-8-3-1-2-4-9(8)17/h1-7,17H,(H,15,16)/b13-7+
InChIKeyNDNNYDRNWPISJA-NTUHNPAUSA-N
XLogP2.28
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.28
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol (CID 135613377) is 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol is Oc1ccccc1/C=N/Nc1ccc(Cl)nn1.
What is the InChIKey of 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol?
The InChIKey is NDNNYDRNWPISJA-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-10-5-6-11(16-14-10)15-13-7-8-3-1-2-4-9(8)17/h1-7,17H,(H,15,16)/b13-7+.
What are the key properties of 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol?
2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol has a molecular weight of 248.67 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135613377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).