2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine

C7H5F3IN — CID 135125549

IUPAC2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine
SMILESFc1ccc(C(F)(F)CI)nc1
InChIInChI=1S/C7H5F3IN/c8-5-1-2-6(12-3-5)7(9,10)4-11/h1-3H,4H2
InChIKeyLNJYAYDBHPJELN-UHFFFAOYSA-N
MW287.02 g/mol
LogP2.75
Rot. Bonds2

About 2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine

2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine (PubChem CID 135125549) has the molecular formula C7H5F3IN and a molecular weight of 287.02 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine.

Molecular Properties

Compound Name2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine
PubChem CID135125549
Molecular FormulaC7H5F3IN
Molecular Weight287.02 g/mol
Exact Mass286.94
IUPAC Name2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine
SMILESFc1ccc(C(F)(F)CI)nc1
InChIInChI=1S/C7H5F3IN/c8-5-1-2-6(12-3-5)7(9,10)4-11/h1-3H,4H2
InChIKeyLNJYAYDBHPJELN-UHFFFAOYSA-N
XLogP2.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.02
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine?
The IUPAC name of 2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine (CID 135125549) is 2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine.
What is the SMILES notation for 2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine?
The canonical SMILES for 2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine is Fc1ccc(C(F)(F)CI)nc1.
What is the InChIKey of 2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine?
The InChIKey is LNJYAYDBHPJELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3IN/c8-5-1-2-6(12-3-5)7(9,10)4-11/h1-3H,4H2.
What are the key properties of 2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine?
2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine has a molecular weight of 287.02 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-iodoethyl)-5-fluoropyridine is sourced from PubChem (CID 135125549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).