3-iodo-6-(trifluoromethyl)pyridazine

C5H2F3IN2 — CID 52987965

IUPAC3-iodo-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(I)nn1
InChIInChI=1S/C5H2F3IN2/c6-5(7,8)3-1-2-4(9)11-10-3/h1-2H
InChIKeyZMGDYHBXBQSOJT-UHFFFAOYSA-N
MW273.98 g/mol
LogP2.10
Rot. Bonds

About 3-iodo-6-(trifluoromethyl)pyridazine

3-iodo-6-(trifluoromethyl)pyridazine (PubChem CID 52987965) has the molecular formula C5H2F3IN2 and a molecular weight of 273.98 g/mol. Its IUPAC name is 3-iodo-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-iodo-6-(trifluoromethyl)pyridazine
PubChem CID52987965
Molecular FormulaC5H2F3IN2
Molecular Weight273.98 g/mol
Exact Mass273.92
IUPAC Name3-iodo-6-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1ccc(I)nn1
InChIInChI=1S/C5H2F3IN2/c6-5(7,8)3-1-2-4(9)11-10-3/h1-2H
InChIKeyZMGDYHBXBQSOJT-UHFFFAOYSA-N
XLogP2.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.98
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-iodo-6-(trifluoromethyl)pyridazine (CID 52987965) is 3-iodo-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-iodo-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-iodo-6-(trifluoromethyl)pyridazine is FC(F)(F)c1ccc(I)nn1.
What is the InChIKey of 3-iodo-6-(trifluoromethyl)pyridazine?
The InChIKey is ZMGDYHBXBQSOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3IN2/c6-5(7,8)3-1-2-4(9)11-10-3/h1-2H.
What are the key properties of 3-iodo-6-(trifluoromethyl)pyridazine?
3-iodo-6-(trifluoromethyl)pyridazine has a molecular weight of 273.98 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 52987965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).