3-chloro-4-iodopyridine

C5H3ClIN — CID 12602200

IUPAC3-chloro-4-iodopyridine
SMILESClc1cnccc1I
InChIInChI=1S/C5H3ClIN/c6-4-3-8-2-1-5(4)7/h1-3H
InChIKeySQXBYRRNGPVSAU-UHFFFAOYSA-N
MW239.44 g/mol
LogP2.34
Rot. Bonds

About 3-chloro-4-iodopyridine

3-chloro-4-iodopyridine (PubChem CID 12602200) has the molecular formula C5H3ClIN and a molecular weight of 239.44 g/mol. Its IUPAC name is 3-chloro-4-iodopyridine.

Molecular Properties

Compound Name3-chloro-4-iodopyridine
PubChem CID12602200
Molecular FormulaC5H3ClIN
Molecular Weight239.44 g/mol
Exact Mass238.90
IUPAC Name3-chloro-4-iodopyridine
SMILESClc1cnccc1I
InChIInChI=1S/C5H3ClIN/c6-4-3-8-2-1-5(4)7/h1-3H
InChIKeySQXBYRRNGPVSAU-UHFFFAOYSA-N
XLogP2.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-4-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-chloro-4-iodopyridine?
The IUPAC name of 3-chloro-4-iodopyridine (CID 12602200) is 3-chloro-4-iodopyridine.
What is the SMILES notation for 3-chloro-4-iodopyridine?
The canonical SMILES for 3-chloro-4-iodopyridine is Clc1cnccc1I.
What is the InChIKey of 3-chloro-4-iodopyridine?
The InChIKey is SQXBYRRNGPVSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClIN/c6-4-3-8-2-1-5(4)7/h1-3H.
What are the key properties of 3-chloro-4-iodopyridine?
3-chloro-4-iodopyridine has a molecular weight of 239.44 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodopyridine is sourced from PubChem (CID 12602200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).