2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine

C8H9IN2 — CID 129099055

IUPAC2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
SMILESCN1C(I)=CC2N=CC=CC21
InChIInChI=1S/C8H9IN2/c1-11-7-3-2-4-10-6(7)5-8(11)9/h2-7H,1H3
InChIKeyQSDQJANAANHTJS-UHFFFAOYSA-N
MW260.08 g/mol
LogP1.59
Rot. Bonds

About 2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine

2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine (PubChem CID 129099055) has the molecular formula C8H9IN2 and a molecular weight of 260.08 g/mol. Its IUPAC name is 2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
PubChem CID129099055
Molecular FormulaC8H9IN2
Molecular Weight260.08 g/mol
Exact Mass259.98
IUPAC Name2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
SMILESCN1C(I)=CC2N=CC=CC21
InChIInChI=1S/C8H9IN2/c1-11-7-3-2-4-10-6(7)5-8(11)9/h2-7H,1H3
InChIKeyQSDQJANAANHTJS-UHFFFAOYSA-N
XLogP1.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The IUPAC name of 2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine (CID 129099055) is 2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine is CN1C(I)=CC2N=CC=CC21.
What is the InChIKey of 2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
The InChIKey is QSDQJANAANHTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2/c1-11-7-3-2-4-10-6(7)5-8(11)9/h2-7H,1H3.
What are the key properties of 2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine?
2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine has a molecular weight of 260.08 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-methyl-3a,7a-dihydropyrrolo[3,2-b]pyridine is sourced from PubChem (CID 129099055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).