2-pyridazin-4-ylacetaldehyde

C6H6N2O — CID 19913284

IUPAC2-pyridazin-4-ylacetaldehyde
SMILESO=CCc1ccnnc1
InChIInChI=1S/C6H6N2O/c9-4-2-6-1-3-7-8-5-6/h1,3-5H,2H2
InChIKeyPOYWQPXJSTWEFA-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.22
Rot. Bonds2

About 2-pyridazin-4-ylacetaldehyde

2-pyridazin-4-ylacetaldehyde (PubChem CID 19913284) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 2-pyridazin-4-ylacetaldehyde.

Molecular Properties

Compound Name2-pyridazin-4-ylacetaldehyde
PubChem CID19913284
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name2-pyridazin-4-ylacetaldehyde
SMILESO=CCc1ccnnc1
InChIInChI=1S/C6H6N2O/c9-4-2-6-1-3-7-8-5-6/h1,3-5H,2H2
InChIKeyPOYWQPXJSTWEFA-UHFFFAOYSA-N
XLogP0.22
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.22
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-pyridazin-4-ylacetaldehyde?
The IUPAC name of 2-pyridazin-4-ylacetaldehyde (CID 19913284) is 2-pyridazin-4-ylacetaldehyde.
What is the SMILES notation for 2-pyridazin-4-ylacetaldehyde?
The canonical SMILES for 2-pyridazin-4-ylacetaldehyde is O=CCc1ccnnc1.
What is the InChIKey of 2-pyridazin-4-ylacetaldehyde?
The InChIKey is POYWQPXJSTWEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c9-4-2-6-1-3-7-8-5-6/h1,3-5H,2H2.
What are the key properties of 2-pyridazin-4-ylacetaldehyde?
2-pyridazin-4-ylacetaldehyde has a molecular weight of 122.13 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-4-ylacetaldehyde is sourced from PubChem (CID 19913284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).