2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

C5H2FIN4O2 — CID 163856805

IUPAC2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESO=c1[nH]c2nn(F)cc2c(=O)n1I
InChIInChI=1S/C5H2FIN4O2/c6-10-1-2-3(9-10)8-5(13)11(7)4(2)12/h1H,(H,8,9,13)
InChIKeyOYZQIRCMMZRYMY-UHFFFAOYSA-N
MW296.00 g/mol
LogP-0.18
Rot. Bonds

About 2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione

2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 163856805) has the molecular formula C5H2FIN4O2 and a molecular weight of 296.00 g/mol. Its IUPAC name is 2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID163856805
Molecular FormulaC5H2FIN4O2
Molecular Weight296.00 g/mol
Exact Mass295.92
IUPAC Name2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESO=c1[nH]c2nn(F)cc2c(=O)n1I
InChIInChI=1S/C5H2FIN4O2/c6-10-1-2-3(9-10)8-5(13)11(7)4(2)12/h1H,(H,8,9,13)
InChIKeyOYZQIRCMMZRYMY-UHFFFAOYSA-N
XLogP-0.18
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.00
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Oxypurinol
CID 135398752
4,9-Dimethyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,6-diene-3,5-dione
CID 135426858
1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5,7-dimethyl-
CID 331886
thiazolo[4,5-d]pyrimidin-2(3H)-one, 7-amino-3-phenyl-
CID 641946
2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 155216821
5-Hydroxy-2-methyl-1h-pyrazolo[3,4-d]pyrimidine-4,6(2h,5h)-dione
CID 135426869
5-Hydroxy-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
CID 141845141
5-Amino-1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
CID 137049875
4,6-Dihydroxypyrazolo[3,4-d]pyrimidine-13C,15N2
CID 136219927
5-hydroxy-1-methyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135740460
7-ethyl-4,5,6,7-tetrahydro-1-methyl-4,6-dioxo-1H-pyrazolo-[3,4-d]-pyrimidine
CID 20400669
7-(methylamino)-1H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 54306069

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione (CID 163856805) is 2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione is O=c1[nH]c2nn(F)cc2c(=O)n1I.
What is the InChIKey of 2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is OYZQIRCMMZRYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2FIN4O2/c6-10-1-2-3(9-10)8-5(13)11(7)4(2)12/h1H,(H,8,9,13).
What are the key properties of 2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione?
2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 296.00 g/mol, XLogP of -0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 163856805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).