6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde

C14H13FN2O2 — CID 82446731

IUPAC6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde
SMILESCCCn1nc(-c2ccc(F)cc2)cc(C=O)c1=O
InChIInChI=1S/C14H13FN2O2/c1-2-7-17-14(19)11(9-18)8-13(16-17)10-3-5-12(15)6-4-10/h3-6,8-9H,2,7H2,1H3
InChIKeyBBHZWJGUWCZVLN-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.27
Rot. Bonds4

About 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde

6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde (PubChem CID 82446731) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde
PubChem CID82446731
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde
SMILESCCCn1nc(-c2ccc(F)cc2)cc(C=O)c1=O
InChIInChI=1S/C14H13FN2O2/c1-2-7-17-14(19)11(9-18)8-13(16-17)10-3-5-12(15)6-4-10/h3-6,8-9H,2,7H2,1H3
InChIKeyBBHZWJGUWCZVLN-UHFFFAOYSA-N
XLogP2.27
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde?
The IUPAC name of 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde (CID 82446731) is 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde.
What is the SMILES notation for 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde?
The canonical SMILES for 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde is CCCn1nc(-c2ccc(F)cc2)cc(C=O)c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde?
The InChIKey is BBHZWJGUWCZVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-2-7-17-14(19)11(9-18)8-13(16-17)10-3-5-12(15)6-4-10/h3-6,8-9H,2,7H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde?
6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde has a molecular weight of 260.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-oxo-2-propylpyridazine-4-carbaldehyde is sourced from PubChem (CID 82446731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).