6-(difluoromethoxy)pyridazine-3-carbaldehyde

C6H4F2N2O2 — CID 164536875

IUPAC6-(difluoromethoxy)pyridazine-3-carbaldehyde
SMILESO=Cc1ccc(OC(F)F)nn1
InChIInChI=1S/C6H4F2N2O2/c7-6(8)12-5-2-1-4(3-11)9-10-5/h1-3,6H
InChIKeyTUDHXLAUESUBNG-UHFFFAOYSA-N
MW174.11 g/mol
LogP0.89
Rot. Bonds3

About 6-(difluoromethoxy)pyridazine-3-carbaldehyde

6-(difluoromethoxy)pyridazine-3-carbaldehyde (PubChem CID 164536875) has the molecular formula C6H4F2N2O2 and a molecular weight of 174.11 g/mol. Its IUPAC name is 6-(difluoromethoxy)pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethoxy)pyridazine-3-carbaldehyde
PubChem CID164536875
Molecular FormulaC6H4F2N2O2
Molecular Weight174.11 g/mol
Exact Mass174.02
IUPAC Name6-(difluoromethoxy)pyridazine-3-carbaldehyde
SMILESO=Cc1ccc(OC(F)F)nn1
InChIInChI=1S/C6H4F2N2O2/c7-6(8)12-5-2-1-4(3-11)9-10-5/h1-3,6H
InChIKeyTUDHXLAUESUBNG-UHFFFAOYSA-N
XLogP0.89
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 50.89
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-(difluoromethoxy)pyridazine-3-carbaldehyde?
The IUPAC name of 6-(difluoromethoxy)pyridazine-3-carbaldehyde (CID 164536875) is 6-(difluoromethoxy)pyridazine-3-carbaldehyde.
What is the SMILES notation for 6-(difluoromethoxy)pyridazine-3-carbaldehyde?
The canonical SMILES for 6-(difluoromethoxy)pyridazine-3-carbaldehyde is O=Cc1ccc(OC(F)F)nn1.
What is the InChIKey of 6-(difluoromethoxy)pyridazine-3-carbaldehyde?
The InChIKey is TUDHXLAUESUBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N2O2/c7-6(8)12-5-2-1-4(3-11)9-10-5/h1-3,6H.
What are the key properties of 6-(difluoromethoxy)pyridazine-3-carbaldehyde?
6-(difluoromethoxy)pyridazine-3-carbaldehyde has a molecular weight of 174.11 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)pyridazine-3-carbaldehyde is sourced from PubChem (CID 164536875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).