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

C15H15FN2O2 — CID 82447115

IUPAC2-butyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde
SMILESCCCCn1nc(-c2ccc(F)cc2)cc(C=O)c1=O
InChIInChI=1S/C15H15FN2O2/c1-2-3-8-18-15(20)12(10-19)9-14(17-18)11-4-6-13(16)7-5-11/h4-7,9-10H,2-3,8H2,1H3
InChIKeyMAGGVVBTGUFIPS-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.66
Rot. Bonds5

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

2-butyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde (PubChem CID 82447115) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-butyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde.

Molecular Properties

Compound Name2-butyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde
PubChem CID82447115
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-butyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde
SMILESCCCCn1nc(-c2ccc(F)cc2)cc(C=O)c1=O
InChIInChI=1S/C15H15FN2O2/c1-2-3-8-18-15(20)12(10-19)9-14(17-18)11-4-6-13(16)7-5-11/h4-7,9-10H,2-3,8H2,1H3
InChIKeyMAGGVVBTGUFIPS-UHFFFAOYSA-N
XLogP2.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.66
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-butyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde?
The IUPAC name of 2-butyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde (CID 82447115) is 2-butyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde.
What is the SMILES notation for 2-butyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde?
The canonical SMILES for 2-butyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde is CCCCn1nc(-c2ccc(F)cc2)cc(C=O)c1=O.
What is the InChIKey of 2-butyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde?
The InChIKey is MAGGVVBTGUFIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-2-3-8-18-15(20)12(10-19)9-14(17-18)11-4-6-13(16)7-5-11/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of 2-butyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde?
2-butyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde has a molecular weight of 274.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(4-fluorophenyl)-3-oxopyridazine-4-carbaldehyde is sourced from PubChem (CID 82447115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).