2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde

C13H11FN2O2 — CID 82444902

IUPAC2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde
SMILESCCn1nc(-c2ccc(F)cc2)cc(C=O)c1=O
InChIInChI=1S/C13H11FN2O2/c1-2-16-13(18)10(8-17)7-12(15-16)9-3-5-11(14)6-4-9/h3-8H,2H2,1H3
InChIKeyPLXBZTOLXQIKMS-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.88
Rot. Bonds3

About 2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde

2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde (PubChem CID 82444902) has the molecular formula C13H11FN2O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde
PubChem CID82444902
Molecular FormulaC13H11FN2O2
Molecular Weight246.24 g/mol
Exact Mass246.08
IUPAC Name2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde
SMILESCCn1nc(-c2ccc(F)cc2)cc(C=O)c1=O
InChIInChI=1S/C13H11FN2O2/c1-2-16-13(18)10(8-17)7-12(15-16)9-3-5-11(14)6-4-9/h3-8H,2H2,1H3
InChIKeyPLXBZTOLXQIKMS-UHFFFAOYSA-N
XLogP1.88
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.88
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 2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde?
The IUPAC name of 2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde (CID 82444902) is 2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde is CCn1nc(-c2ccc(F)cc2)cc(C=O)c1=O.
What is the InChIKey of 2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde?
The InChIKey is PLXBZTOLXQIKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O2/c1-2-16-13(18)10(8-17)7-12(15-16)9-3-5-11(14)6-4-9/h3-8H,2H2,1H3.
What are the key properties of 2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde?
2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde has a molecular weight of 246.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 82444902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).