5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine

C7H9IN2 — CID 89270361

IUPAC5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
SMILESIC1C=C2CCNC2=NC1
InChIInChI=1S/C7H9IN2/c8-6-3-5-1-2-9-7(5)10-4-6/h3,6H,1-2,4H2,(H,9,10)
InChIKeyIIPPGGRREQHUKW-UHFFFAOYSA-N
MW248.07 g/mol
LogP1.12
Rot. Bonds

About 5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine

5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 89270361) has the molecular formula C7H9IN2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID89270361
Molecular FormulaC7H9IN2
Molecular Weight248.07 g/mol
Exact Mass247.98
IUPAC Name5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine
SMILESIC1C=C2CCNC2=NC1
InChIInChI=1S/C7H9IN2/c8-6-3-5-1-2-9-7(5)10-4-6/h3,6H,1-2,4H2,(H,9,10)
InChIKeyIIPPGGRREQHUKW-UHFFFAOYSA-N
XLogP1.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine (CID 89270361) is 5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine is IC1C=C2CCNC2=NC1.
What is the InChIKey of 5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IIPPGGRREQHUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2/c8-6-3-5-1-2-9-7(5)10-4-6/h3,6H,1-2,4H2,(H,9,10).
What are the key properties of 5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 248.07 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2,3,5,6-tetrahydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 89270361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).