4-iodo-1H-pyrrole-2-carbaldehyde

C5H4INO — CID 4671953

IUPAC4-iodo-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1cc(I)c[nH]1
InChIInChI=1S/C5H4INO/c6-4-1-5(3-8)7-2-4/h1-3,7H
InChIKeyAEYJSULNKPFTAP-UHFFFAOYSA-N
MW221.00 g/mol
LogP1.43
Rot. Bonds1

About 4-iodo-1H-pyrrole-2-carbaldehyde

4-iodo-1H-pyrrole-2-carbaldehyde (PubChem CID 4671953) has the molecular formula C5H4INO and a molecular weight of 221.00 g/mol. Its IUPAC name is 4-iodo-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-iodo-1H-pyrrole-2-carbaldehyde
PubChem CID4671953
Molecular FormulaC5H4INO
Molecular Weight221.00 g/mol
Exact Mass220.93
IUPAC Name4-iodo-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1cc(I)c[nH]1
InChIInChI=1S/C5H4INO/c6-4-1-5(3-8)7-2-4/h1-3,7H
InChIKeyAEYJSULNKPFTAP-UHFFFAOYSA-N
XLogP1.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.00
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-iodo-1H-pyrrole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 4-iodo-1H-pyrrole-2-carbaldehyde (CID 4671953) is 4-iodo-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 4-iodo-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 4-iodo-1H-pyrrole-2-carbaldehyde is O=Cc1cc(I)c[nH]1.
What is the InChIKey of 4-iodo-1H-pyrrole-2-carbaldehyde?
The InChIKey is AEYJSULNKPFTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4INO/c6-4-1-5(3-8)7-2-4/h1-3,7H.
What are the key properties of 4-iodo-1H-pyrrole-2-carbaldehyde?
4-iodo-1H-pyrrole-2-carbaldehyde has a molecular weight of 221.00 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 4671953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).