2-(3,5-dichloropyridazin-4-yl)acetaldehyde

C6H4Cl2N2O — CID 170394621

IUPAC2-(3,5-dichloropyridazin-4-yl)acetaldehyde
SMILESO=CCc1c(Cl)cnnc1Cl
InChIInChI=1S/C6H4Cl2N2O/c7-5-3-9-10-6(8)4(5)1-2-11/h2-3H,1H2
InChIKeyXSJDDPJDEGCEHH-UHFFFAOYSA-N
MW191.02 g/mol
LogP1.52
Rot. Bonds2

About 2-(3,5-dichloropyridazin-4-yl)acetaldehyde

2-(3,5-dichloropyridazin-4-yl)acetaldehyde (PubChem CID 170394621) has the molecular formula C6H4Cl2N2O and a molecular weight of 191.02 g/mol. Its IUPAC name is 2-(3,5-dichloropyridazin-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3,5-dichloropyridazin-4-yl)acetaldehyde
PubChem CID170394621
Molecular FormulaC6H4Cl2N2O
Molecular Weight191.02 g/mol
Exact Mass189.97
IUPAC Name2-(3,5-dichloropyridazin-4-yl)acetaldehyde
SMILESO=CCc1c(Cl)cnnc1Cl
InChIInChI=1S/C6H4Cl2N2O/c7-5-3-9-10-6(8)4(5)1-2-11/h2-3H,1H2
InChIKeyXSJDDPJDEGCEHH-UHFFFAOYSA-N
XLogP1.52
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3,5-dichloropyridazin-4-yl)acetaldehyde?
The IUPAC name of 2-(3,5-dichloropyridazin-4-yl)acetaldehyde (CID 170394621) is 2-(3,5-dichloropyridazin-4-yl)acetaldehyde.
What is the SMILES notation for 2-(3,5-dichloropyridazin-4-yl)acetaldehyde?
The canonical SMILES for 2-(3,5-dichloropyridazin-4-yl)acetaldehyde is O=CCc1c(Cl)cnnc1Cl.
What is the InChIKey of 2-(3,5-dichloropyridazin-4-yl)acetaldehyde?
The InChIKey is XSJDDPJDEGCEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O/c7-5-3-9-10-6(8)4(5)1-2-11/h2-3H,1H2.
What are the key properties of 2-(3,5-dichloropyridazin-4-yl)acetaldehyde?
2-(3,5-dichloropyridazin-4-yl)acetaldehyde has a molecular weight of 191.02 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloropyridazin-4-yl)acetaldehyde is sourced from PubChem (CID 170394621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).