6-chloro-2-iodo-7H-purine

C5H2ClIN4 — CID 11361414

IUPAC6-chloro-2-iodo-7H-purine
SMILESClc1nc(I)nc2nc[nH]c12
InChIInChI=1S/C5H2ClIN4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChIKeySZRNPDHDBPGZOA-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.61
Rot. Bonds

About 6-chloro-2-iodo-7H-purine

6-chloro-2-iodo-7H-purine (PubChem CID 11361414) has the molecular formula C5H2ClIN4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 6-chloro-2-iodo-7H-purine.

Molecular Properties

Compound Name6-chloro-2-iodo-7H-purine
PubChem CID11361414
Molecular FormulaC5H2ClIN4
Molecular Weight280.46 g/mol
Exact Mass279.90
IUPAC Name6-chloro-2-iodo-7H-purine
SMILESClc1nc(I)nc2nc[nH]c12
InChIInChI=1S/C5H2ClIN4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)
InChIKeySZRNPDHDBPGZOA-UHFFFAOYSA-N
XLogP1.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-2-iodo-7H-purine 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 6-chloro-2-iodo-7H-purine?
The IUPAC name of 6-chloro-2-iodo-7H-purine (CID 11361414) is 6-chloro-2-iodo-7H-purine.
What is the SMILES notation for 6-chloro-2-iodo-7H-purine?
The canonical SMILES for 6-chloro-2-iodo-7H-purine is Clc1nc(I)nc2nc[nH]c12.
What is the InChIKey of 6-chloro-2-iodo-7H-purine?
The InChIKey is SZRNPDHDBPGZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClIN4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11).
What are the key properties of 6-chloro-2-iodo-7H-purine?
6-chloro-2-iodo-7H-purine has a molecular weight of 280.46 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-iodo-7H-purine is sourced from PubChem (CID 11361414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).