3-iodo-3H-pyrrole

C4H4IN — CID 143873100

IUPAC3-iodo-3H-pyrrole
SMILESIC1C=CN=C1
InChIInChI=1S/C4H4IN/c5-4-1-2-6-3-4/h1-4H
InChIKeyIQRSYVUXYNGRRF-UHFFFAOYSA-N
MW192.99 g/mol
LogP1.39
Rot. Bonds

About 3-iodo-3H-pyrrole

3-iodo-3H-pyrrole (PubChem CID 143873100) has the molecular formula C4H4IN and a molecular weight of 192.99 g/mol. Its IUPAC name is 3-iodo-3H-pyrrole.

Molecular Properties

Compound Name3-iodo-3H-pyrrole
PubChem CID143873100
Molecular FormulaC4H4IN
Molecular Weight192.99 g/mol
Exact Mass192.94
IUPAC Name3-iodo-3H-pyrrole
SMILESIC1C=CN=C1
InChIInChI=1S/C4H4IN/c5-4-1-2-6-3-4/h1-4H
InChIKeyIQRSYVUXYNGRRF-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3H-pyrrole
CID 6857513
5-iodo-3H-pyrrole
CID 20641673
2,3-Dihydropyrrol-2-ide
CID 58066797
2,3-Dihydropyrrol-2-ylium
CID 58373898
3H-pyrrole;yttrium
CID 59738572
3-Iodo-3,4-dihydropyridine
CID 68061583
4-Iodo-3,4-dihydropyridine
CID 70669078
2-Iodo-3,4-dihydropyridine
CID 70927776
(Z)-N-ethenyl-3-iodoprop-2-en-1-imine
CID 88559039
ethane;3H-pyrrole
CID 91374213
propane;3H-pyrrole
CID 91485586
2,4-dideuterio-3H-pyrrole
CID 152211409

Frequently Asked Questions

What is the IUPAC name of 3-iodo-3H-pyrrole?
The IUPAC name of 3-iodo-3H-pyrrole (CID 143873100) is 3-iodo-3H-pyrrole.
What is the SMILES notation for 3-iodo-3H-pyrrole?
The canonical SMILES for 3-iodo-3H-pyrrole is IC1C=CN=C1.
What is the InChIKey of 3-iodo-3H-pyrrole?
The InChIKey is IQRSYVUXYNGRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4IN/c5-4-1-2-6-3-4/h1-4H.
What are the key properties of 3-iodo-3H-pyrrole?
3-iodo-3H-pyrrole has a molecular weight of 192.99 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-3H-pyrrole is sourced from PubChem (CID 143873100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).