2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine

C9H9FI2N2 — CID 46318169

IUPAC2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine
SMILESFc1nc(N2CCCC2)cc(I)c1I
InChIInChI=1S/C9H9FI2N2/c10-9-8(12)6(11)5-7(13-9)14-3-1-2-4-14/h5H,1-4H2
InChIKeyYEFDZAFDZLXQMO-UHFFFAOYSA-N
MW417.99 g/mol
LogP3.03
Rot. Bonds1

About 2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine

2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine (PubChem CID 46318169) has the molecular formula C9H9FI2N2 and a molecular weight of 417.99 g/mol. Its IUPAC name is 2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine.

Molecular Properties

Compound Name2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine
PubChem CID46318169
Molecular FormulaC9H9FI2N2
Molecular Weight417.99 g/mol
Exact Mass417.88
IUPAC Name2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine
SMILESFc1nc(N2CCCC2)cc(I)c1I
InChIInChI=1S/C9H9FI2N2/c10-9-8(12)6(11)5-7(13-9)14-3-1-2-4-14/h5H,1-4H2
InChIKeyYEFDZAFDZLXQMO-UHFFFAOYSA-N
XLogP3.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.99
LogP ≤ 53.03
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-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine?
The IUPAC name of 2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine (CID 46318169) is 2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine.
What is the SMILES notation for 2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine?
The canonical SMILES for 2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine is Fc1nc(N2CCCC2)cc(I)c1I.
What is the InChIKey of 2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine?
The InChIKey is YEFDZAFDZLXQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FI2N2/c10-9-8(12)6(11)5-7(13-9)14-3-1-2-4-14/h5H,1-4H2.
What are the key properties of 2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine?
2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine has a molecular weight of 417.99 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine is sourced from PubChem (CID 46318169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).