3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine

C10H11IN2O — CID 66634165

IUPAC3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine
SMILESCOCCn1cc(I)c2ccncc21
InChIInChI=1S/C10H11IN2O/c1-14-5-4-13-7-9(11)8-2-3-12-6-10(8)13/h2-3,6-7H,4-5H2,1H3
InChIKeyZOQMCXPOVXZELH-UHFFFAOYSA-N
MW302.12 g/mol
LogP2.29
Rot. Bonds3

About 3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine

3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine (PubChem CID 66634165) has the molecular formula C10H11IN2O and a molecular weight of 302.12 g/mol. Its IUPAC name is 3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine
PubChem CID66634165
Molecular FormulaC10H11IN2O
Molecular Weight302.12 g/mol
Exact Mass301.99
IUPAC Name3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine
SMILESCOCCn1cc(I)c2ccncc21
InChIInChI=1S/C10H11IN2O/c1-14-5-4-13-7-9(11)8-2-3-12-6-10(8)13/h2-3,6-7H,4-5H2,1H3
InChIKeyZOQMCXPOVXZELH-UHFFFAOYSA-N
XLogP2.29
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine?
The IUPAC name of 3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine (CID 66634165) is 3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine is COCCn1cc(I)c2ccncc21.
What is the InChIKey of 3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine?
The InChIKey is ZOQMCXPOVXZELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11IN2O/c1-14-5-4-13-7-9(11)8-2-3-12-6-10(8)13/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine?
3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine has a molecular weight of 302.12 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-(2-methoxyethyl)pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 66634165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).