2-fluoro-3-iodo-2,3-dihydropyridine

C5H5FIN — CID 166836928

IUPAC2-fluoro-3-iodo-2,3-dihydropyridine
SMILESFC1N=CC=CC1I
InChIInChI=1S/C5H5FIN/c6-5-4(7)2-1-3-8-5/h1-5H
InChIKeyHFRRBFRQTJHADR-UHFFFAOYSA-N
MW225.00 g/mol
LogP1.73
Rot. Bonds

About 2-fluoro-3-iodo-2,3-dihydropyridine

2-fluoro-3-iodo-2,3-dihydropyridine (PubChem CID 166836928) has the molecular formula C5H5FIN and a molecular weight of 225.00 g/mol. Its IUPAC name is 2-fluoro-3-iodo-2,3-dihydropyridine.

Molecular Properties

Compound Name2-fluoro-3-iodo-2,3-dihydropyridine
PubChem CID166836928
Molecular FormulaC5H5FIN
Molecular Weight225.00 g/mol
Exact Mass224.95
IUPAC Name2-fluoro-3-iodo-2,3-dihydropyridine
SMILESFC1N=CC=CC1I
InChIInChI=1S/C5H5FIN/c6-5-4(7)2-1-3-8-5/h1-5H
InChIKeyHFRRBFRQTJHADR-UHFFFAOYSA-N
XLogP1.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.00
LogP ≤ 51.73
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-iodo-2,3-dihydropyridine?
The IUPAC name of 2-fluoro-3-iodo-2,3-dihydropyridine (CID 166836928) is 2-fluoro-3-iodo-2,3-dihydropyridine.
What is the SMILES notation for 2-fluoro-3-iodo-2,3-dihydropyridine?
The canonical SMILES for 2-fluoro-3-iodo-2,3-dihydropyridine is FC1N=CC=CC1I.
What is the InChIKey of 2-fluoro-3-iodo-2,3-dihydropyridine?
The InChIKey is HFRRBFRQTJHADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FIN/c6-5-4(7)2-1-3-8-5/h1-5H.
What are the key properties of 2-fluoro-3-iodo-2,3-dihydropyridine?
2-fluoro-3-iodo-2,3-dihydropyridine has a molecular weight of 225.00 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-iodo-2,3-dihydropyridine is sourced from PubChem (CID 166836928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).