2-iodo-5-methoxy-1H-pyrrole

C5H6INO — CID 163945709

IUPAC2-iodo-5-methoxy-1H-pyrrole
SMILESCOc1ccc(I)[nH]1
InChIInChI=1S/C5H6INO/c1-8-5-3-2-4(6)7-5/h2-3,7H,1H3
InChIKeyRUWSXEUBGDJXTR-UHFFFAOYSA-N
MW223.01 g/mol
LogP1.63
Rot. Bonds1

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

2-iodo-5-methoxy-1H-pyrrole (PubChem CID 163945709) has the molecular formula C5H6INO and a molecular weight of 223.01 g/mol. Its IUPAC name is 2-iodo-5-methoxy-1H-pyrrole.

Molecular Properties

Compound Name2-iodo-5-methoxy-1H-pyrrole
PubChem CID163945709
Molecular FormulaC5H6INO
Molecular Weight223.01 g/mol
Exact Mass222.95
IUPAC Name2-iodo-5-methoxy-1H-pyrrole
SMILESCOc1ccc(I)[nH]1
InChIInChI=1S/C5H6INO/c1-8-5-3-2-4(6)7-5/h2-3,7H,1H3
InChIKeyRUWSXEUBGDJXTR-UHFFFAOYSA-N
XLogP1.63
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.01
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-methoxy-1H-pyrrole?
The IUPAC name of 2-iodo-5-methoxy-1H-pyrrole (CID 163945709) is 2-iodo-5-methoxy-1H-pyrrole.
What is the SMILES notation for 2-iodo-5-methoxy-1H-pyrrole?
The canonical SMILES for 2-iodo-5-methoxy-1H-pyrrole is COc1ccc(I)[nH]1.
What is the InChIKey of 2-iodo-5-methoxy-1H-pyrrole?
The InChIKey is RUWSXEUBGDJXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INO/c1-8-5-3-2-4(6)7-5/h2-3,7H,1H3.
What are the key properties of 2-iodo-5-methoxy-1H-pyrrole?
2-iodo-5-methoxy-1H-pyrrole has a molecular weight of 223.01 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-methoxy-1H-pyrrole is sourced from PubChem (CID 163945709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).