2-(difluoromethoxy)-6-fluoro-3-iodopyridine

C6H3F3INO — CID 119004423

IUPAC2-(difluoromethoxy)-6-fluoro-3-iodopyridine
SMILESFc1ccc(I)c(OC(F)F)n1
InChIInChI=1S/C6H3F3INO/c7-4-2-1-3(10)5(11-4)12-6(8)9/h1-2,6H
InChIKeyKAJMYBQYIIHPGH-UHFFFAOYSA-N
MW288.99 g/mol
LogP2.43
Rot. Bonds2

About 2-(difluoromethoxy)-6-fluoro-3-iodopyridine

2-(difluoromethoxy)-6-fluoro-3-iodopyridine (PubChem CID 119004423) has the molecular formula C6H3F3INO and a molecular weight of 288.99 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-fluoro-3-iodopyridine.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-fluoro-3-iodopyridine
PubChem CID119004423
Molecular FormulaC6H3F3INO
Molecular Weight288.99 g/mol
Exact Mass288.92
IUPAC Name2-(difluoromethoxy)-6-fluoro-3-iodopyridine
SMILESFc1ccc(I)c(OC(F)F)n1
InChIInChI=1S/C6H3F3INO/c7-4-2-1-3(10)5(11-4)12-6(8)9/h1-2,6H
InChIKeyKAJMYBQYIIHPGH-UHFFFAOYSA-N
XLogP2.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.99
LogP ≤ 52.43
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 2-(difluoromethoxy)-6-fluoro-3-iodopyridine?
The IUPAC name of 2-(difluoromethoxy)-6-fluoro-3-iodopyridine (CID 119004423) is 2-(difluoromethoxy)-6-fluoro-3-iodopyridine.
What is the SMILES notation for 2-(difluoromethoxy)-6-fluoro-3-iodopyridine?
The canonical SMILES for 2-(difluoromethoxy)-6-fluoro-3-iodopyridine is Fc1ccc(I)c(OC(F)F)n1.
What is the InChIKey of 2-(difluoromethoxy)-6-fluoro-3-iodopyridine?
The InChIKey is KAJMYBQYIIHPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3INO/c7-4-2-1-3(10)5(11-4)12-6(8)9/h1-2,6H.
What are the key properties of 2-(difluoromethoxy)-6-fluoro-3-iodopyridine?
2-(difluoromethoxy)-6-fluoro-3-iodopyridine has a molecular weight of 288.99 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-fluoro-3-iodopyridine is sourced from PubChem (CID 119004423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).