3-fluoro-6-iodo-3,4-dihydropyridine

C5H5FIN — CID 166812830

IUPAC3-fluoro-6-iodo-3,4-dihydropyridine
SMILESFC1C=NC(I)=CC1
InChIInChI=1S/C5H5FIN/c6-4-1-2-5(7)8-3-4/h2-4H,1H2
InChIKeyFWLDLTRXYZFUJH-UHFFFAOYSA-N
MW225.00 g/mol
LogP2.08
Rot. Bonds

About 3-fluoro-6-iodo-3,4-dihydropyridine

3-fluoro-6-iodo-3,4-dihydropyridine (PubChem CID 166812830) has the molecular formula C5H5FIN and a molecular weight of 225.00 g/mol. Its IUPAC name is 3-fluoro-6-iodo-3,4-dihydropyridine.

Molecular Properties

Compound Name3-fluoro-6-iodo-3,4-dihydropyridine
PubChem CID166812830
Molecular FormulaC5H5FIN
Molecular Weight225.00 g/mol
Exact Mass224.95
IUPAC Name3-fluoro-6-iodo-3,4-dihydropyridine
SMILESFC1C=NC(I)=CC1
InChIInChI=1S/C5H5FIN/c6-4-1-2-5(7)8-3-4/h2-4H,1H2
InChIKeyFWLDLTRXYZFUJH-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-6-iodo-3,4-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6-iodo-3,4-dihydropyridine?
The IUPAC name of 3-fluoro-6-iodo-3,4-dihydropyridine (CID 166812830) is 3-fluoro-6-iodo-3,4-dihydropyridine.
What is the SMILES notation for 3-fluoro-6-iodo-3,4-dihydropyridine?
The canonical SMILES for 3-fluoro-6-iodo-3,4-dihydropyridine is FC1C=NC(I)=CC1.
What is the InChIKey of 3-fluoro-6-iodo-3,4-dihydropyridine?
The InChIKey is FWLDLTRXYZFUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FIN/c6-4-1-2-5(7)8-3-4/h2-4H,1H2.
What are the key properties of 3-fluoro-6-iodo-3,4-dihydropyridine?
3-fluoro-6-iodo-3,4-dihydropyridine has a molecular weight of 225.00 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6-iodo-3,4-dihydropyridine is sourced from PubChem (CID 166812830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).