3-iodo-4-methoxy-6-(trifluoromethyl)pyridazine

C6H4F3IN2O — CID 166662542

IUPAC3-iodo-4-methoxy-6-(trifluoromethyl)pyridazine
SMILESCOc1cc(C(F)(F)F)nnc1I
InChIInChI=1S/C6H4F3IN2O/c1-13-3-2-4(6(7,8)9)11-12-5(3)10/h2H,1H3
InChIKeyRRHVBLPHSJHXNW-UHFFFAOYSA-N
MW304.01 g/mol
LogP2.11
Rot. Bonds1

About 3-iodo-4-methoxy-6-(trifluoromethyl)pyridazine

3-iodo-4-methoxy-6-(trifluoromethyl)pyridazine (PubChem CID 166662542) has the molecular formula C6H4F3IN2O and a molecular weight of 304.01 g/mol. Its IUPAC name is 3-iodo-4-methoxy-6-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-iodo-4-methoxy-6-(trifluoromethyl)pyridazine
PubChem CID166662542
Molecular FormulaC6H4F3IN2O
Molecular Weight304.01 g/mol
Exact Mass303.93
IUPAC Name3-iodo-4-methoxy-6-(trifluoromethyl)pyridazine
SMILESCOc1cc(C(F)(F)F)nnc1I
InChIInChI=1S/C6H4F3IN2O/c1-13-3-2-4(6(7,8)9)11-12-5(3)10/h2H,1H3
InChIKeyRRHVBLPHSJHXNW-UHFFFAOYSA-N
XLogP2.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.01
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-4-methoxy-6-(trifluoromethyl)pyridazine?
The IUPAC name of 3-iodo-4-methoxy-6-(trifluoromethyl)pyridazine (CID 166662542) is 3-iodo-4-methoxy-6-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-iodo-4-methoxy-6-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-iodo-4-methoxy-6-(trifluoromethyl)pyridazine is COc1cc(C(F)(F)F)nnc1I.
What is the InChIKey of 3-iodo-4-methoxy-6-(trifluoromethyl)pyridazine?
The InChIKey is RRHVBLPHSJHXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3IN2O/c1-13-3-2-4(6(7,8)9)11-12-5(3)10/h2H,1H3.
What are the key properties of 3-iodo-4-methoxy-6-(trifluoromethyl)pyridazine?
3-iodo-4-methoxy-6-(trifluoromethyl)pyridazine has a molecular weight of 304.01 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methoxy-6-(trifluoromethyl)pyridazine is sourced from PubChem (CID 166662542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).