4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol

C11H9ClN4O2 — CID 135676346

IUPAC4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/Nc2ccc(Cl)nn2)cc1O
InChIInChI=1S/C11H9ClN4O2/c12-10-3-4-11(16-14-10)15-13-6-7-1-2-8(17)9(18)5-7/h1-6,17-18H,(H,15,16)/b13-6+
InChIKeyHCPDZCCXEOUOJA-AWNIVKPZSA-N
MW264.67 g/mol
LogP1.99
Rot. Bonds3

About 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol

4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 135676346) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol
PubChem CID135676346
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1ccc(/C=N/Nc2ccc(Cl)nn2)cc1O
InChIInChI=1S/C11H9ClN4O2/c12-10-3-4-11(16-14-10)15-13-6-7-1-2-8(17)9(18)5-7/h1-6,17-18H,(H,15,16)/b13-6+
InChIKeyHCPDZCCXEOUOJA-AWNIVKPZSA-N
XLogP1.99
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol (CID 135676346) is 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol is Oc1ccc(/C=N/Nc2ccc(Cl)nn2)cc1O.
What is the InChIKey of 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is HCPDZCCXEOUOJA-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-10-3-4-11(16-14-10)15-13-6-7-1-2-8(17)9(18)5-7/h1-6,17-18H,(H,15,16)/b13-6+.
What are the key properties of 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol?
4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol has a molecular weight of 264.67 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 135676346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).