3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine

C8H6Br2N2 — CID 91100432

IUPAC3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESBrCc1[nH]c2ncccc2c1Br
InChIInChI=1S/C8H6Br2N2/c9-4-6-7(10)5-2-1-3-11-8(5)12-6/h1-3H,4H2,(H,11,12)
InChIKeyWFKRUCCKPIEUDU-UHFFFAOYSA-N
MW289.96 g/mol
LogP3.22
Rot. Bonds1

About 3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine

3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 91100432) has the molecular formula C8H6Br2N2 and a molecular weight of 289.96 g/mol. Its IUPAC name is 3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID91100432
Molecular FormulaC8H6Br2N2
Molecular Weight289.96 g/mol
Exact Mass287.89
IUPAC Name3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESBrCc1[nH]c2ncccc2c1Br
InChIInChI=1S/C8H6Br2N2/c9-4-6-7(10)5-2-1-3-11-8(5)12-6/h1-3H,4H2,(H,11,12)
InChIKeyWFKRUCCKPIEUDU-UHFFFAOYSA-N
XLogP3.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.96
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine (CID 91100432) is 3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine is BrCc1[nH]c2ncccc2c1Br.
What is the InChIKey of 3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WFKRUCCKPIEUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2N2/c9-4-6-7(10)5-2-1-3-11-8(5)12-6/h1-3H,4H2,(H,11,12).
What are the key properties of 3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine?
3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 289.96 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(bromomethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 91100432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).