5-iodo-1H-pyrrole-2-carbaldehyde

C5H4INO — CID 15321733

IUPAC5-iodo-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(I)[nH]1
InChIInChI=1S/C5H4INO/c6-5-2-1-4(3-8)7-5/h1-3,7H
InChIKeyVUNNAXZCSADOPQ-UHFFFAOYSA-N
MW221.00 g/mol
LogP1.43
Rot. Bonds1

About 5-iodo-1H-pyrrole-2-carbaldehyde

5-iodo-1H-pyrrole-2-carbaldehyde (PubChem CID 15321733) has the molecular formula C5H4INO and a molecular weight of 221.00 g/mol. Its IUPAC name is 5-iodo-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-iodo-1H-pyrrole-2-carbaldehyde
PubChem CID15321733
Molecular FormulaC5H4INO
Molecular Weight221.00 g/mol
Exact Mass220.93
IUPAC Name5-iodo-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(I)[nH]1
InChIInChI=1S/C5H4INO/c6-5-2-1-4(3-8)7-5/h1-3,7H
InChIKeyVUNNAXZCSADOPQ-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'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-iodo-1H-pyrrole-2-carbaldehyde (CID 15321733) is 5-iodo-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-iodo-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-iodo-1H-pyrrole-2-carbaldehyde is O=Cc1ccc(I)[nH]1.
What is the InChIKey of 5-iodo-1H-pyrrole-2-carbaldehyde?
The InChIKey is VUNNAXZCSADOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4INO/c6-5-2-1-4(3-8)7-5/h1-3,7H.
What are the key properties of 5-iodo-1H-pyrrole-2-carbaldehyde?
5-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 5-iodo-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 15321733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).