2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde

C12H11ClN2O3 — CID 59827332

IUPAC2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde
SMILESO=CCOc1ccc(C2=NNC(=O)CC2)cc1Cl
InChIInChI=1S/C12H11ClN2O3/c13-9-7-8(1-3-11(9)18-6-5-16)10-2-4-12(17)15-14-10/h1,3,5,7H,2,4,6H2,(H,15,17)
InChIKeyOFSJAZCIWSUOHW-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.53
Rot. Bonds4

About 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde

2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde (PubChem CID 59827332) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde
PubChem CID59827332
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde
SMILESO=CCOc1ccc(C2=NNC(=O)CC2)cc1Cl
InChIInChI=1S/C12H11ClN2O3/c13-9-7-8(1-3-11(9)18-6-5-16)10-2-4-12(17)15-14-10/h1,3,5,7H,2,4,6H2,(H,15,17)
InChIKeyOFSJAZCIWSUOHW-UHFFFAOYSA-N
XLogP1.53
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde?
The IUPAC name of 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde (CID 59827332) is 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde.
What is the SMILES notation for 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde?
The canonical SMILES for 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde is O=CCOc1ccc(C2=NNC(=O)CC2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde?
The InChIKey is OFSJAZCIWSUOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-9-7-8(1-3-11(9)18-6-5-16)10-2-4-12(17)15-14-10/h1,3,5,7H,2,4,6H2,(H,15,17).
What are the key properties of 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde?
2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde has a molecular weight of 266.68 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetaldehyde is sourced from PubChem (CID 59827332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).