6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine

C7H7IN2 — CID 130470480

IUPAC6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESIN1Cc2cccnc2C1
InChIInChI=1S/C7H7IN2/c8-10-4-6-2-1-3-9-7(6)5-10/h1-3H,4-5H2
InChIKeyAUXUAFQNEQJAQF-UHFFFAOYSA-N
MW246.05 g/mol
LogP1.75
Rot. Bonds

About 6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine

6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 130470480) has the molecular formula C7H7IN2 and a molecular weight of 246.05 g/mol. Its IUPAC name is 6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID130470480
Molecular FormulaC7H7IN2
Molecular Weight246.05 g/mol
Exact Mass245.97
IUPAC Name6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESIN1Cc2cccnc2C1
InChIInChI=1S/C7H7IN2/c8-10-4-6-2-1-3-9-7(6)5-10/h1-3H,4-5H2
InChIKeyAUXUAFQNEQJAQF-UHFFFAOYSA-N
XLogP1.75
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine (CID 130470480) is 6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine is IN1Cc2cccnc2C1.
What is the InChIKey of 6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is AUXUAFQNEQJAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7IN2/c8-10-4-6-2-1-3-9-7(6)5-10/h1-3H,4-5H2.
What are the key properties of 6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine?
6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 246.05 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-5,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 130470480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).