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

C11H9ClN4O2 — CID 135736487

IUPAC3-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1cccc(/C=N/Nc2ccc(Cl)nn2)c1O
InChIInChI=1S/C11H9ClN4O2/c12-9-4-5-10(16-14-9)15-13-6-7-2-1-3-8(17)11(7)18/h1-6,17-18H,(H,15,16)/b13-6+
InChIKeySYVPIQIITOFGEJ-AWNIVKPZSA-N
MW264.67 g/mol
LogP1.99
Rot. Bonds3

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

3-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol (PubChem CID 135736487) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 3-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol
PubChem CID135736487
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name3-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol
SMILESOc1cccc(/C=N/Nc2ccc(Cl)nn2)c1O
InChIInChI=1S/C11H9ClN4O2/c12-9-4-5-10(16-14-9)15-13-6-7-2-1-3-8(17)11(7)18/h1-6,17-18H,(H,15,16)/b13-6+
InChIKeySYVPIQIITOFGEJ-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_A(479)', '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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Related Compounds

4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol
CID 135675946
4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 135676000
4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135676346
2-[(E)-N-[(6-chloropyridazin-3-yl)amino]-C-methylcarbonimidoyl]phenol
CID 135676224
2,3-Dimethoxybenzaldehyde (6-chloro-3-pyridazinyl)hydrazone
CID 9614379
3-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 9614576
2-((2-(6-Chloropyridazin-3-yl)hydrazineylidene)methyl)phenol
CID 135613377
2-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]-6-methyl-3-propan-2-ylphenol
CID 177602618
4-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135676233
6-chloro-N-[(2,3-dimethoxyphenyl)methylideneamino]pyridazin-3-amine
CID 6786588
3-[[(6-Chloropyridazin-3-yl)hydrazinylidene]methyl]phenol
CID 6810980
4-[[(6-Chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2,3-triol
CID 135408842

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The IUPAC name of 3-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol (CID 135736487) is 3-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol.
What is the SMILES notation for 3-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The canonical SMILES for 3-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol is Oc1cccc(/C=N/Nc2ccc(Cl)nn2)c1O.
What is the InChIKey of 3-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol?
The InChIKey is SYVPIQIITOFGEJ-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-9-4-5-10(16-14-9)15-13-6-7-2-1-3-8(17)11(7)18/h1-6,17-18H,(H,15,16)/b13-6+.
What are the key properties of 3-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol?
3-[(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 3-[(E)-[(6-chloropyridazin-3-yl)hydrazinylidene]methyl]benzene-1,2-diol is sourced from PubChem (CID 135736487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).