9-iodopurine

C5H3IN4 — CID 70189684

IUPAC9-iodopurine
SMILESIn1cnc2cncnc21
InChIInChI=1S/C5H3IN4/c6-10-3-9-4-1-7-2-8-5(4)10/h1-3H
InChIKeyFFLQOIMOLZYDJA-UHFFFAOYSA-N
MW246.01 g/mol
LogP1.02
Rot. Bonds

About 9-iodopurine

9-iodopurine (PubChem CID 70189684) has the molecular formula C5H3IN4 and a molecular weight of 246.01 g/mol. Its IUPAC name is 9-iodopurine.

Molecular Properties

Compound Name9-iodopurine
PubChem CID70189684
Molecular FormulaC5H3IN4
Molecular Weight246.01 g/mol
Exact Mass245.94
IUPAC Name9-iodopurine
SMILESIn1cnc2cncnc21
InChIInChI=1S/C5H3IN4/c6-10-3-9-4-1-7-2-8-5(4)10/h1-3H
InChIKeyFFLQOIMOLZYDJA-UHFFFAOYSA-N
XLogP1.02
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.01
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-bromopurine
CID 91356605
9-methoxypurine
CID 56998918
9-chloropurine;hydrochloride
CID 69266784
9-(2-chloropropan-2-yl)purine
CID 174393193
sodium;hydride;9-hydroxypurine
CID 174050509
ethane-1,2-diol;purin-9-amine
CID 174612658
2-purin-9-ylethanamine
CID 86106662
9-(3-chloropropyl)purine
CID 22715671
9-imidazol-1-ylpurine
CID 174561773
purin-9-yl sulfite
CID 57046248
3-iodoimidazo[4,5-b]pyridine
CID 129018665
9-(3,5-dimethylphenyl)purine
CID 20740846

Frequently Asked Questions

What is the IUPAC name of 9-iodopurine?
The IUPAC name of 9-iodopurine (CID 70189684) is 9-iodopurine.
What is the SMILES notation for 9-iodopurine?
The canonical SMILES for 9-iodopurine is In1cnc2cncnc21.
What is the InChIKey of 9-iodopurine?
The InChIKey is FFLQOIMOLZYDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN4/c6-10-3-9-4-1-7-2-8-5(4)10/h1-3H.
What are the key properties of 9-iodopurine?
9-iodopurine has a molecular weight of 246.01 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodopurine is sourced from PubChem (CID 70189684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).