3-fluoro-4-(3-iodopyrazol-1-yl)pyridine

C8H5FIN3 — CID 90319309

IUPAC3-fluoro-4-(3-iodopyrazol-1-yl)pyridine
SMILESFc1cnccc1-n1ccc(I)n1
InChIInChI=1S/C8H5FIN3/c9-6-5-11-3-1-7(6)13-4-2-8(10)12-13/h1-5H
InChIKeyUIHTYZNWNZBGLD-UHFFFAOYSA-N
MW289.05 g/mol
LogP2.01
Rot. Bonds1

About 3-fluoro-4-(3-iodopyrazol-1-yl)pyridine

3-fluoro-4-(3-iodopyrazol-1-yl)pyridine (PubChem CID 90319309) has the molecular formula C8H5FIN3 and a molecular weight of 289.05 g/mol. Its IUPAC name is 3-fluoro-4-(3-iodopyrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-fluoro-4-(3-iodopyrazol-1-yl)pyridine
PubChem CID90319309
Molecular FormulaC8H5FIN3
Molecular Weight289.05 g/mol
Exact Mass288.95
IUPAC Name3-fluoro-4-(3-iodopyrazol-1-yl)pyridine
SMILESFc1cnccc1-n1ccc(I)n1
InChIInChI=1S/C8H5FIN3/c9-6-5-11-3-1-7(6)13-4-2-8(10)12-13/h1-5H
InChIKeyUIHTYZNWNZBGLD-UHFFFAOYSA-N
XLogP2.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.05
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-4-(3-iodopyrazol-1-yl)pyridine 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-4-(3-iodopyrazol-1-yl)pyridine?
The IUPAC name of 3-fluoro-4-(3-iodopyrazol-1-yl)pyridine (CID 90319309) is 3-fluoro-4-(3-iodopyrazol-1-yl)pyridine.
What is the SMILES notation for 3-fluoro-4-(3-iodopyrazol-1-yl)pyridine?
The canonical SMILES for 3-fluoro-4-(3-iodopyrazol-1-yl)pyridine is Fc1cnccc1-n1ccc(I)n1.
What is the InChIKey of 3-fluoro-4-(3-iodopyrazol-1-yl)pyridine?
The InChIKey is UIHTYZNWNZBGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FIN3/c9-6-5-11-3-1-7(6)13-4-2-8(10)12-13/h1-5H.
What are the key properties of 3-fluoro-4-(3-iodopyrazol-1-yl)pyridine?
3-fluoro-4-(3-iodopyrazol-1-yl)pyridine has a molecular weight of 289.05 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-iodopyrazol-1-yl)pyridine is sourced from PubChem (CID 90319309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).