2-(chloromethyl)-5-iodopyridine

C6H5ClIN — CID 58538531

IUPAC2-(chloromethyl)-5-iodopyridine
SMILESClCc1ccc(I)cn1
InChIInChI=1S/C6H5ClIN/c7-3-6-2-1-5(8)4-9-6/h1-2,4H,3H2
InChIKeyCHMBLTXRDNJTAO-UHFFFAOYSA-N
MW253.47 g/mol
LogP2.42
Rot. Bonds1

About 2-(chloromethyl)-5-iodopyridine

2-(chloromethyl)-5-iodopyridine (PubChem CID 58538531) has the molecular formula C6H5ClIN and a molecular weight of 253.47 g/mol. Its IUPAC name is 2-(chloromethyl)-5-iodopyridine.

Molecular Properties

Compound Name2-(chloromethyl)-5-iodopyridine
PubChem CID58538531
Molecular FormulaC6H5ClIN
Molecular Weight253.47 g/mol
Exact Mass252.92
IUPAC Name2-(chloromethyl)-5-iodopyridine
SMILESClCc1ccc(I)cn1
InChIInChI=1S/C6H5ClIN/c7-3-6-2-1-5(8)4-9-6/h1-2,4H,3H2
InChIKeyCHMBLTXRDNJTAO-UHFFFAOYSA-N
XLogP2.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 52.42
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'}

Analyze 2-(chloromethyl)-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 2-(chloromethyl)-5-iodopyridine?
The IUPAC name of 2-(chloromethyl)-5-iodopyridine (CID 58538531) is 2-(chloromethyl)-5-iodopyridine.
What is the SMILES notation for 2-(chloromethyl)-5-iodopyridine?
The canonical SMILES for 2-(chloromethyl)-5-iodopyridine is ClCc1ccc(I)cn1.
What is the InChIKey of 2-(chloromethyl)-5-iodopyridine?
The InChIKey is CHMBLTXRDNJTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClIN/c7-3-6-2-1-5(8)4-9-6/h1-2,4H,3H2.
What are the key properties of 2-(chloromethyl)-5-iodopyridine?
2-(chloromethyl)-5-iodopyridine has a molecular weight of 253.47 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-iodopyridine is sourced from PubChem (CID 58538531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).