2-fluoro-2-iodo-1H-pyridine

C5H5FIN — CID 134227231

IUPAC2-fluoro-2-iodo-1H-pyridine
SMILESFC1(I)C=CC=CN1
InChIInChI=1S/C5H5FIN/c6-5(7)3-1-2-4-8-5/h1-4,8H
InChIKeyUKIJAJGOZGTHQZ-UHFFFAOYSA-N
MW225.00 g/mol
LogP1.72
Rot. Bonds

About 2-fluoro-2-iodo-1H-pyridine

2-fluoro-2-iodo-1H-pyridine (PubChem CID 134227231) has the molecular formula C5H5FIN and a molecular weight of 225.00 g/mol. Its IUPAC name is 2-fluoro-2-iodo-1H-pyridine.

Molecular Properties

Compound Name2-fluoro-2-iodo-1H-pyridine
PubChem CID134227231
Molecular FormulaC5H5FIN
Molecular Weight225.00 g/mol
Exact Mass224.95
IUPAC Name2-fluoro-2-iodo-1H-pyridine
SMILESFC1(I)C=CC=CN1
InChIInChI=1S/C5H5FIN/c6-5(7)3-1-2-4-8-5/h1-4,8H
InChIKeyUKIJAJGOZGTHQZ-UHFFFAOYSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.00
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-iodo-1H-pyridine?
The IUPAC name of 2-fluoro-2-iodo-1H-pyridine (CID 134227231) is 2-fluoro-2-iodo-1H-pyridine.
What is the SMILES notation for 2-fluoro-2-iodo-1H-pyridine?
The canonical SMILES for 2-fluoro-2-iodo-1H-pyridine is FC1(I)C=CC=CN1.
What is the InChIKey of 2-fluoro-2-iodo-1H-pyridine?
The InChIKey is UKIJAJGOZGTHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FIN/c6-5(7)3-1-2-4-8-5/h1-4,8H.
What are the key properties of 2-fluoro-2-iodo-1H-pyridine?
2-fluoro-2-iodo-1H-pyridine has a molecular weight of 225.00 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-iodo-1H-pyridine is sourced from PubChem (CID 134227231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).