3-iodo-2-oxo-3H-pyridine-5-carbaldehyde

C6H4INO2 — CID 74259862

IUPAC3-iodo-2-oxo-3H-pyridine-5-carbaldehyde
SMILESO=CC1=CC(I)C(=O)N=C1
InChIInChI=1S/C6H4INO2/c7-5-1-4(3-9)2-8-6(5)10/h1-3,5H
InChIKeyCIUPIPNVJLSVGM-UHFFFAOYSA-N
MW249.01 g/mol
LogP0.53
Rot. Bonds1

About 3-iodo-2-oxo-3H-pyridine-5-carbaldehyde

3-iodo-2-oxo-3H-pyridine-5-carbaldehyde (PubChem CID 74259862) has the molecular formula C6H4INO2 and a molecular weight of 249.01 g/mol. Its IUPAC name is 3-iodo-2-oxo-3H-pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-iodo-2-oxo-3H-pyridine-5-carbaldehyde
PubChem CID74259862
Molecular FormulaC6H4INO2
Molecular Weight249.01 g/mol
Exact Mass248.93
IUPAC Name3-iodo-2-oxo-3H-pyridine-5-carbaldehyde
SMILESO=CC1=CC(I)C(=O)N=C1
InChIInChI=1S/C6H4INO2/c7-5-1-4(3-9)2-8-6(5)10/h1-3,5H
InChIKeyCIUPIPNVJLSVGM-UHFFFAOYSA-N
XLogP0.53
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.01
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-oxo-3H-pyridine-5-carbaldehyde?
The IUPAC name of 3-iodo-2-oxo-3H-pyridine-5-carbaldehyde (CID 74259862) is 3-iodo-2-oxo-3H-pyridine-5-carbaldehyde.
What is the SMILES notation for 3-iodo-2-oxo-3H-pyridine-5-carbaldehyde?
The canonical SMILES for 3-iodo-2-oxo-3H-pyridine-5-carbaldehyde is O=CC1=CC(I)C(=O)N=C1.
What is the InChIKey of 3-iodo-2-oxo-3H-pyridine-5-carbaldehyde?
The InChIKey is CIUPIPNVJLSVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4INO2/c7-5-1-4(3-9)2-8-6(5)10/h1-3,5H.
What are the key properties of 3-iodo-2-oxo-3H-pyridine-5-carbaldehyde?
3-iodo-2-oxo-3H-pyridine-5-carbaldehyde has a molecular weight of 249.01 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-oxo-3H-pyridine-5-carbaldehyde is sourced from PubChem (CID 74259862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).