1-iodopyrrolo[3,2-b]pyridine

C7H5IN2 — CID 70894838

IUPAC1-iodopyrrolo[3,2-b]pyridine
SMILESIn1ccc2ncccc21
InChIInChI=1S/C7H5IN2/c8-10-5-3-6-7(10)2-1-4-9-6/h1-5H
InChIKeyZFRTWXWJKPUJAJ-UHFFFAOYSA-N
MW244.04 g/mol
LogP2.23
Rot. Bonds

About 1-iodopyrrolo[3,2-b]pyridine

1-iodopyrrolo[3,2-b]pyridine (PubChem CID 70894838) has the molecular formula C7H5IN2 and a molecular weight of 244.04 g/mol. Its IUPAC name is 1-iodopyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-iodopyrrolo[3,2-b]pyridine
PubChem CID70894838
Molecular FormulaC7H5IN2
Molecular Weight244.04 g/mol
Exact Mass243.95
IUPAC Name1-iodopyrrolo[3,2-b]pyridine
SMILESIn1ccc2ncccc21
InChIInChI=1S/C7H5IN2/c8-10-5-3-6-7(10)2-1-4-9-6/h1-5H
InChIKeyZFRTWXWJKPUJAJ-UHFFFAOYSA-N
XLogP2.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodopyrrolo[3,2-b]pyridine?
The IUPAC name of 1-iodopyrrolo[3,2-b]pyridine (CID 70894838) is 1-iodopyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-iodopyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-iodopyrrolo[3,2-b]pyridine is In1ccc2ncccc21.
What is the InChIKey of 1-iodopyrrolo[3,2-b]pyridine?
The InChIKey is ZFRTWXWJKPUJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IN2/c8-10-5-3-6-7(10)2-1-4-9-6/h1-5H.
What are the key properties of 1-iodopyrrolo[3,2-b]pyridine?
1-iodopyrrolo[3,2-b]pyridine has a molecular weight of 244.04 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodopyrrolo[3,2-b]pyridine is sourced from PubChem (CID 70894838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).