4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine

C9H9IN2 — CID 167098732

IUPAC4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(I)c1ccnc2[nH]ccc12
InChIInChI=1S/C9H9IN2/c1-6(10)7-2-4-11-9-8(7)3-5-12-9/h2-6H,1H3,(H,11,12)
InChIKeyUWAXSZDJCHOLCH-UHFFFAOYSA-N
MW272.09 g/mol
LogP3.06
Rot. Bonds1

About 4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine

4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 167098732) has the molecular formula C9H9IN2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID167098732
Molecular FormulaC9H9IN2
Molecular Weight272.09 g/mol
Exact Mass271.98
IUPAC Name4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(I)c1ccnc2[nH]ccc12
InChIInChI=1S/C9H9IN2/c1-6(10)7-2-4-11-9-8(7)3-5-12-9/h2-6H,1H3,(H,11,12)
InChIKeyUWAXSZDJCHOLCH-UHFFFAOYSA-N
XLogP3.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 53.06
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine (CID 167098732) is 4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine is CC(I)c1ccnc2[nH]ccc12.
What is the InChIKey of 4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UWAXSZDJCHOLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN2/c1-6(10)7-2-4-11-9-8(7)3-5-12-9/h2-6H,1H3,(H,11,12).
What are the key properties of 4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine?
4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 272.09 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-iodoethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167098732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).