1,3-diiodopyrrole-2,5-diol

C4H3I2NO2 — CID 90763766

IUPAC1,3-diiodopyrrole-2,5-diol
SMILESOc1cc(I)c(O)n1I
InChIInChI=1S/C4H3I2NO2/c5-2-1-3(8)7(6)4(2)9/h1,8-9H
InChIKeyPUDYVFSEQFACAB-UHFFFAOYSA-N
MW350.88 g/mol
LogP1.70
Rot. Bonds

About 1,3-diiodopyrrole-2,5-diol

1,3-diiodopyrrole-2,5-diol (PubChem CID 90763766) has the molecular formula C4H3I2NO2 and a molecular weight of 350.88 g/mol. Its IUPAC name is 1,3-diiodopyrrole-2,5-diol.

Molecular Properties

Compound Name1,3-diiodopyrrole-2,5-diol
PubChem CID90763766
Molecular FormulaC4H3I2NO2
Molecular Weight350.88 g/mol
Exact Mass350.83
IUPAC Name1,3-diiodopyrrole-2,5-diol
SMILESOc1cc(I)c(O)n1I
InChIInChI=1S/C4H3I2NO2/c5-2-1-3(8)7(6)4(2)9/h1,8-9H
InChIKeyPUDYVFSEQFACAB-UHFFFAOYSA-N
XLogP1.70
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methylpyrrole-2,5-diol
CID 21326740
1-(2,5-Dihydroxypyrrol-1-yl)propan-1-one
CID 53632841
(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
1H-pyrrole-2,5-diol
CID 53710320
1-Iodopyrrole-2,5-diol
CID 53748320
1-Chloropyrrole-2,5-diol
CID 53783263
1-Hydroxypyrrole-2,5-diol
CID 53887891
1-(Hydroxymethyl)pyrrole-2,5-diol
CID 54060161
1-Ethylpyrrole-2,5-diol
CID 54068298
2,5-Dihydroxypyrrole-1-carbaldehyde
CID 54249812
(2,5-Dihydroxypyrrol-1-yl) 2-iodoacetate
CID 54322694

Frequently Asked Questions

What is the IUPAC name of 1,3-diiodopyrrole-2,5-diol?
The IUPAC name of 1,3-diiodopyrrole-2,5-diol (CID 90763766) is 1,3-diiodopyrrole-2,5-diol.
What is the SMILES notation for 1,3-diiodopyrrole-2,5-diol?
The canonical SMILES for 1,3-diiodopyrrole-2,5-diol is Oc1cc(I)c(O)n1I.
What is the InChIKey of 1,3-diiodopyrrole-2,5-diol?
The InChIKey is PUDYVFSEQFACAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3I2NO2/c5-2-1-3(8)7(6)4(2)9/h1,8-9H.
What are the key properties of 1,3-diiodopyrrole-2,5-diol?
1,3-diiodopyrrole-2,5-diol has a molecular weight of 350.88 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diiodopyrrole-2,5-diol is sourced from PubChem (CID 90763766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).