6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde

C13H11FN2O2 — CID 82295036

IUPAC6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde
SMILESCCOc1ccc(-c2ccc(C=O)nn2)cc1F
InChIInChI=1S/C13H11FN2O2/c1-2-18-13-6-3-9(7-11(13)14)12-5-4-10(8-17)15-16-12/h3-8H,2H2,1H3
InChIKeyOLPKKLVSEIRMNK-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.49
Rot. Bonds4

About 6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde

6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde (PubChem CID 82295036) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde
PubChem CID82295036
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde
SMILESCCOc1ccc(-c2ccc(C=O)nn2)cc1F
InChIInChI=1S/C13H11FN2O2/c1-2-18-13-6-3-9(7-11(13)14)12-5-4-10(8-17)15-16-12/h3-8H,2H2,1H3
InChIKeyOLPKKLVSEIRMNK-UHFFFAOYSA-N
XLogP2.49
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
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 6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde?
The IUPAC name of 6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde (CID 82295036) is 6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde.
What is the SMILES notation for 6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde?
The canonical SMILES for 6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde is CCOc1ccc(-c2ccc(C=O)nn2)cc1F.
What is the InChIKey of 6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde?
The InChIKey is OLPKKLVSEIRMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-2-18-13-6-3-9(7-11(13)14)12-5-4-10(8-17)15-16-12/h3-8H,2H2,1H3.
What are the key properties of 6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde?
6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde has a molecular weight of 246.24 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-3-fluorophenyl)pyridazine-3-carbaldehyde is sourced from PubChem (CID 82295036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).