5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine

C13H8BrN5 — CID 155813571

IUPAC5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESBrc1ccc2[nH]c(-c3c[nH]c4ncccc34)nc2n1
InChIInChI=1S/C13H8BrN5/c14-10-4-3-9-13(18-10)19-12(17-9)8-6-16-11-7(8)2-1-5-15-11/h1-6H,(H,15,16)(H,17,18,19)
InChIKeyLFTUQNJJZQRGSI-UHFFFAOYSA-N
MW314.15 g/mol
LogP3.26
Rot. Bonds1

About 5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine

5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 155813571) has the molecular formula C13H8BrN5 and a molecular weight of 314.15 g/mol. Its IUPAC name is 5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID155813571
Molecular FormulaC13H8BrN5
Molecular Weight314.15 g/mol
Exact Mass313.00
IUPAC Name5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESBrc1ccc2[nH]c(-c3c[nH]c4ncccc34)nc2n1
InChIInChI=1S/C13H8BrN5/c14-10-4-3-9-13(18-10)19-12(17-9)8-6-16-11-7(8)2-1-5-15-11/h1-6H,(H,15,16)(H,17,18,19)
InChIKeyLFTUQNJJZQRGSI-UHFFFAOYSA-N
XLogP3.26
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine (CID 155813571) is 5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine is Brc1ccc2[nH]c(-c3c[nH]c4ncccc34)nc2n1.
What is the InChIKey of 5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is LFTUQNJJZQRGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN5/c14-10-4-3-9-13(18-10)19-12(17-9)8-6-16-11-7(8)2-1-5-15-11/h1-6H,(H,15,16)(H,17,18,19).
What are the key properties of 5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine?
5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 314.15 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 155813571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).