(5-iodopyrimidin-2-yl) hypoiodite

C4H2I2N2O — CID 170122228

IUPAC(5-iodopyrimidin-2-yl) hypoiodite
SMILESIOc1ncc(I)cn1
InChIInChI=1S/C4H2I2N2O/c5-3-1-7-4(9-6)8-2-3/h1-2H
InChIKeyNVNLFRKPMQUQTO-UHFFFAOYSA-N
MW347.88 g/mol
LogP1.81
Rot. Bonds1

About (5-iodopyrimidin-2-yl) hypoiodite

(5-iodopyrimidin-2-yl) hypoiodite (PubChem CID 170122228) has the molecular formula C4H2I2N2O and a molecular weight of 347.88 g/mol. Its IUPAC name is (5-iodopyrimidin-2-yl) hypoiodite.

Molecular Properties

Compound Name(5-iodopyrimidin-2-yl) hypoiodite
PubChem CID170122228
Molecular FormulaC4H2I2N2O
Molecular Weight347.88 g/mol
Exact Mass347.83
IUPAC Name(5-iodopyrimidin-2-yl) hypoiodite
SMILESIOc1ncc(I)cn1
InChIInChI=1S/C4H2I2N2O/c5-3-1-7-4(9-6)8-2-3/h1-2H
InChIKeyNVNLFRKPMQUQTO-UHFFFAOYSA-N
XLogP1.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.88
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-iodopyrimidin-2-yl) hypoiodite?
The IUPAC name of (5-iodopyrimidin-2-yl) hypoiodite (CID 170122228) is (5-iodopyrimidin-2-yl) hypoiodite.
What is the SMILES notation for (5-iodopyrimidin-2-yl) hypoiodite?
The canonical SMILES for (5-iodopyrimidin-2-yl) hypoiodite is IOc1ncc(I)cn1.
What is the InChIKey of (5-iodopyrimidin-2-yl) hypoiodite?
The InChIKey is NVNLFRKPMQUQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2I2N2O/c5-3-1-7-4(9-6)8-2-3/h1-2H.
What are the key properties of (5-iodopyrimidin-2-yl) hypoiodite?
(5-iodopyrimidin-2-yl) hypoiodite has a molecular weight of 347.88 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodopyrimidin-2-yl) hypoiodite is sourced from PubChem (CID 170122228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).