5-iodo-3H-pyrrole

C4H4IN — CID 20641673

IUPAC5-iodo-3H-pyrrole
SMILESIC1=CCC=N1
InChIInChI=1S/C4H4IN/c5-4-2-1-3-6-4/h2-3H,1H2
InChIKeyWRTFEGYRGYJZQV-UHFFFAOYSA-N
MW192.99 g/mol
LogP1.74
Rot. Bonds

About 5-iodo-3H-pyrrole

5-iodo-3H-pyrrole (PubChem CID 20641673) has the molecular formula C4H4IN and a molecular weight of 192.99 g/mol. Its IUPAC name is 5-iodo-3H-pyrrole.

Molecular Properties

Compound Name5-iodo-3H-pyrrole
PubChem CID20641673
Molecular FormulaC4H4IN
Molecular Weight192.99 g/mol
Exact Mass192.94
IUPAC Name5-iodo-3H-pyrrole
SMILESIC1=CCC=N1
InChIInChI=1S/C4H4IN/c5-4-2-1-3-6-4/h2-3H,1H2
InChIKeyWRTFEGYRGYJZQV-UHFFFAOYSA-N
XLogP1.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.99
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-3H-pyrrole
CID 67893608
3-Fluoro-6-iodo-3,4-dihydropyridine
CID 166812830
Bromozinc(1+);2,4-dihydropyrrol-2-ide
CID 57818405
6-Iodo-3,4-dihydropyridine
CID 117646593
3-iodo-3H-pyrrole
CID 143873100
Chlorozinc(1+);2,4-dihydropyrrol-2-ide
CID 148446056
2-iodo-3H-pyrrole
CID 157552279

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3H-pyrrole?
The IUPAC name of 5-iodo-3H-pyrrole (CID 20641673) is 5-iodo-3H-pyrrole.
What is the SMILES notation for 5-iodo-3H-pyrrole?
The canonical SMILES for 5-iodo-3H-pyrrole is IC1=CCC=N1.
What is the InChIKey of 5-iodo-3H-pyrrole?
The InChIKey is WRTFEGYRGYJZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4IN/c5-4-2-1-3-6-4/h2-3H,1H2.
What are the key properties of 5-iodo-3H-pyrrole?
5-iodo-3H-pyrrole has a molecular weight of 192.99 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3H-pyrrole is sourced from PubChem (CID 20641673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).