3-(difluoromethyl)-5-iodopyridine

C6H4F2IN — CID 99979257

IUPAC3-(difluoromethyl)-5-iodopyridine
SMILESFC(F)c1cncc(I)c1
InChIInChI=1S/C6H4F2IN/c7-6(8)4-1-5(9)3-10-2-4/h1-3,6H
InChIKeyWFCZHZBFNYITQE-UHFFFAOYSA-N
MW255.00 g/mol
LogP2.62
Rot. Bonds1

About 3-(difluoromethyl)-5-iodopyridine

3-(difluoromethyl)-5-iodopyridine (PubChem CID 99979257) has the molecular formula C6H4F2IN and a molecular weight of 255.00 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-iodopyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-5-iodopyridine
PubChem CID99979257
Molecular FormulaC6H4F2IN
Molecular Weight255.00 g/mol
Exact Mass254.94
IUPAC Name3-(difluoromethyl)-5-iodopyridine
SMILESFC(F)c1cncc(I)c1
InChIInChI=1S/C6H4F2IN/c7-6(8)4-1-5(9)3-10-2-4/h1-3,6H
InChIKeyWFCZHZBFNYITQE-UHFFFAOYSA-N
XLogP2.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.00
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(difluoromethyl)-5-iodopyridine 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-(difluoromethyl)-5-iodopyridine?
The IUPAC name of 3-(difluoromethyl)-5-iodopyridine (CID 99979257) is 3-(difluoromethyl)-5-iodopyridine.
What is the SMILES notation for 3-(difluoromethyl)-5-iodopyridine?
The canonical SMILES for 3-(difluoromethyl)-5-iodopyridine is FC(F)c1cncc(I)c1.
What is the InChIKey of 3-(difluoromethyl)-5-iodopyridine?
The InChIKey is WFCZHZBFNYITQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2IN/c7-6(8)4-1-5(9)3-10-2-4/h1-3,6H.
What are the key properties of 3-(difluoromethyl)-5-iodopyridine?
3-(difluoromethyl)-5-iodopyridine has a molecular weight of 255.00 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-iodopyridine is sourced from PubChem (CID 99979257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).