6-ethylpyridazine-3-carbaldehyde

C7H8N2O — CID 89045417

IUPAC6-ethylpyridazine-3-carbaldehyde
SMILESCCc1ccc(C=O)nn1
InChIInChI=1S/C7H8N2O/c1-2-6-3-4-7(5-10)9-8-6/h3-5H,2H2,1H3
InChIKeyKNOVJUPUMXTJJQ-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.85
Rot. Bonds2

About 6-ethylpyridazine-3-carbaldehyde

6-ethylpyridazine-3-carbaldehyde (PubChem CID 89045417) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 6-ethylpyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-ethylpyridazine-3-carbaldehyde
PubChem CID89045417
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name6-ethylpyridazine-3-carbaldehyde
SMILESCCc1ccc(C=O)nn1
InChIInChI=1S/C7H8N2O/c1-2-6-3-4-7(5-10)9-8-6/h3-5H,2H2,1H3
InChIKeyKNOVJUPUMXTJJQ-UHFFFAOYSA-N
XLogP0.85
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.85
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 6-ethylpyridazine-3-carbaldehyde?
The IUPAC name of 6-ethylpyridazine-3-carbaldehyde (CID 89045417) is 6-ethylpyridazine-3-carbaldehyde.
What is the SMILES notation for 6-ethylpyridazine-3-carbaldehyde?
The canonical SMILES for 6-ethylpyridazine-3-carbaldehyde is CCc1ccc(C=O)nn1.
What is the InChIKey of 6-ethylpyridazine-3-carbaldehyde?
The InChIKey is KNOVJUPUMXTJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-2-6-3-4-7(5-10)9-8-6/h3-5H,2H2,1H3.
What are the key properties of 6-ethylpyridazine-3-carbaldehyde?
6-ethylpyridazine-3-carbaldehyde has a molecular weight of 136.15 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylpyridazine-3-carbaldehyde is sourced from PubChem (CID 89045417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).