6-chloro-9-ethyl-8-iodopurine

C7H6ClIN4 — CID 90158346

IUPAC6-chloro-9-ethyl-8-iodopurine
SMILESCCn1c(I)nc2c(Cl)ncnc21
InChIInChI=1S/C7H6ClIN4/c1-2-13-6-4(12-7(13)9)5(8)10-3-11-6/h3H,2H2,1H3
InChIKeyGPMPXKNHAQGMNX-UHFFFAOYSA-N
MW308.51 g/mol
LogP2.10
Rot. Bonds1

About 6-chloro-9-ethyl-8-iodopurine

6-chloro-9-ethyl-8-iodopurine (PubChem CID 90158346) has the molecular formula C7H6ClIN4 and a molecular weight of 308.51 g/mol. Its IUPAC name is 6-chloro-9-ethyl-8-iodopurine.

Molecular Properties

Compound Name6-chloro-9-ethyl-8-iodopurine
PubChem CID90158346
Molecular FormulaC7H6ClIN4
Molecular Weight308.51 g/mol
Exact Mass307.93
IUPAC Name6-chloro-9-ethyl-8-iodopurine
SMILESCCn1c(I)nc2c(Cl)ncnc21
InChIInChI=1S/C7H6ClIN4/c1-2-13-6-4(12-7(13)9)5(8)10-3-11-6/h3H,2H2,1H3
InChIKeyGPMPXKNHAQGMNX-UHFFFAOYSA-N
XLogP2.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-ethyl-8-iodopurine?
The IUPAC name of 6-chloro-9-ethyl-8-iodopurine (CID 90158346) is 6-chloro-9-ethyl-8-iodopurine.
What is the SMILES notation for 6-chloro-9-ethyl-8-iodopurine?
The canonical SMILES for 6-chloro-9-ethyl-8-iodopurine is CCn1c(I)nc2c(Cl)ncnc21.
What is the InChIKey of 6-chloro-9-ethyl-8-iodopurine?
The InChIKey is GPMPXKNHAQGMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClIN4/c1-2-13-6-4(12-7(13)9)5(8)10-3-11-6/h3H,2H2,1H3.
What are the key properties of 6-chloro-9-ethyl-8-iodopurine?
6-chloro-9-ethyl-8-iodopurine has a molecular weight of 308.51 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-ethyl-8-iodopurine is sourced from PubChem (CID 90158346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).