3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine

C7H4F4INO — CID 131054604

IUPAC3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine
SMILESFCOc1ccc(C(F)(F)F)nc1I
InChIInChI=1S/C7H4F4INO/c8-3-14-4-1-2-5(7(9,10)11)13-6(4)12/h1-2H,3H2
InChIKeyORDXVMCBQNLLIJ-UHFFFAOYSA-N
MW321.01 g/mol
LogP3.01
Rot. Bonds2

About 3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine

3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine (PubChem CID 131054604) has the molecular formula C7H4F4INO and a molecular weight of 321.01 g/mol. Its IUPAC name is 3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine
PubChem CID131054604
Molecular FormulaC7H4F4INO
Molecular Weight321.01 g/mol
Exact Mass320.93
IUPAC Name3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine
SMILESFCOc1ccc(C(F)(F)F)nc1I
InChIInChI=1S/C7H4F4INO/c8-3-14-4-1-2-5(7(9,10)11)13-6(4)12/h1-2H,3H2
InChIKeyORDXVMCBQNLLIJ-UHFFFAOYSA-N
XLogP3.01
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine (CID 131054604) is 3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine is FCOc1ccc(C(F)(F)F)nc1I.
What is the InChIKey of 3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine?
The InChIKey is ORDXVMCBQNLLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4INO/c8-3-14-4-1-2-5(7(9,10)11)13-6(4)12/h1-2H,3H2.
What are the key properties of 3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine?
3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine has a molecular weight of 321.01 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethoxy)-2-iodo-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 131054604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).