(2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate

C5H4INO4 — CID 166945533

IUPAC(2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate
SMILESO=C(I)ON1C(=O)C=CC1O
InChIInChI=1S/C5H4INO4/c6-5(10)11-7-3(8)1-2-4(7)9/h1-3,8H
InChIKeyHTHYJVBIRIETKN-UHFFFAOYSA-N
MW268.99 g/mol
LogP0.19
Rot. Bonds1

About (2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate

(2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate (PubChem CID 166945533) has the molecular formula C5H4INO4 and a molecular weight of 268.99 g/mol. Its IUPAC name is (2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate.

Molecular Properties

Compound Name(2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate
PubChem CID166945533
Molecular FormulaC5H4INO4
Molecular Weight268.99 g/mol
Exact Mass268.92
IUPAC Name(2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate
SMILESO=C(I)ON1C(=O)C=CC1O
InChIInChI=1S/C5H4INO4/c6-5(10)11-7-3(8)1-2-4(7)9/h1-3,8H
InChIKeyHTHYJVBIRIETKN-UHFFFAOYSA-N
XLogP0.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.99
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-dihydroxy-2H-pyrrol-5-one
CID 19838066
(2-hydroxy-5-oxo-2H-pyrrol-1-yl) butanoate
CID 129131767
2-hydroxy-1-iodo-2H-pyrrol-5-one
CID 154526580
(2-hydroxy-5-oxo-2H-pyrrol-1-yl) acetate
CID 178057727
(2-hydroxy-5-oxo-2H-pyrrol-1-yl) 2-methylpropanoate
CID 178679190

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate?
The IUPAC name of (2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate (CID 166945533) is (2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate.
What is the SMILES notation for (2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate?
The canonical SMILES for (2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate is O=C(I)ON1C(=O)C=CC1O.
What is the InChIKey of (2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate?
The InChIKey is HTHYJVBIRIETKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4INO4/c6-5(10)11-7-3(8)1-2-4(7)9/h1-3,8H.
What are the key properties of (2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate?
(2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate has a molecular weight of 268.99 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-oxo-2H-pyrrol-1-yl) carboniodidate is sourced from PubChem (CID 166945533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).