5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

C11H9ClN4O2 — CID 135412277

IUPAC5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C\c2ccccc2O)c1Cl
InChIInChI=1S/C11H9ClN4O2/c12-10-8(6-14-16-11(10)18)15-13-5-7-3-1-2-4-9(7)17/h1-6,17H,(H2,15,16,18)/b13-5-
InChIKeyAQLSAEPFORCHOK-ACAGNQJTSA-N
MW264.67 g/mol
LogP1.57
Rot. Bonds3

About 5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (PubChem CID 135412277) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
PubChem CID135412277
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N/N=C\c2ccccc2O)c1Cl
InChIInChI=1S/C11H9ClN4O2/c12-10-8(6-14-16-11(10)18)15-13-5-7-3-1-2-4-9(7)17/h1-6,17H,(H2,15,16,18)/b13-5-
InChIKeyAQLSAEPFORCHOK-ACAGNQJTSA-N
XLogP1.57
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.57
H-Bond Donors ≤ 53
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 5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one (CID 135412277) is 5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is O=c1[nH]ncc(N/N=C\c2ccccc2O)c1Cl.
What is the InChIKey of 5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
The InChIKey is AQLSAEPFORCHOK-ACAGNQJTSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-10-8(6-14-16-11(10)18)15-13-5-7-3-1-2-4-9(7)17/h1-6,17H,(H2,15,16,18)/b13-5-.
What are the key properties of 5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one?
5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one has a molecular weight of 264.67 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 135412277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).