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

C11H9ClN4O3 — CID 135408842

IUPAC4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NNc2ccc(Cl)nn2)c(O)c1O
InChIInChI=1S/C11H9ClN4O3/c12-8-3-4-9(16-14-8)15-13-5-6-1-2-7(17)11(19)10(6)18/h1-5,17-19H,(H,15,16)
InChIKeyPJTJMBGVLYBKCZ-UHFFFAOYSA-N
MW280.67 g/mol
LogP1.69
Rot. Bonds3

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

4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol (PubChem CID 135408842) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol
PubChem CID135408842
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol
SMILESOc1ccc(C=NNc2ccc(Cl)nn2)c(O)c1O
InChIInChI=1S/C11H9ClN4O3/c12-8-3-4-9(16-14-8)15-13-5-6-1-2-7(17)11(19)10(6)18/h1-5,17-19H,(H,15,16)
InChIKeyPJTJMBGVLYBKCZ-UHFFFAOYSA-N
XLogP1.69
TPSA110.86 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol?
The IUPAC name of 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol (CID 135408842) is 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol is Oc1ccc(C=NNc2ccc(Cl)nn2)c(O)c1O.
What is the InChIKey of 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol?
The InChIKey is PJTJMBGVLYBKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c12-8-3-4-9(16-14-8)15-13-5-6-1-2-7(17)11(19)10(6)18/h1-5,17-19H,(H,15,16).
What are the key properties of 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol?
4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol has a molecular weight of 280.67 g/mol, XLogP of 1.69, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol is sourced from PubChem (CID 135408842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).