5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine

C9H9BrN2 — CID 155401553

IUPAC5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine
SMILESCCc1cc2nc(Br)ccc2[nH]1
InChIInChI=1S/C9H9BrN2/c1-2-6-5-8-7(11-6)3-4-9(10)12-8/h3-5,11H,2H2,1H3
InChIKeyKZIVOOWCAULHCU-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.89
Rot. Bonds1

About 5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine

5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 155401553) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID155401553
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine
SMILESCCc1cc2nc(Br)ccc2[nH]1
InChIInChI=1S/C9H9BrN2/c1-2-6-5-8-7(11-6)3-4-9(10)12-8/h3-5,11H,2H2,1H3
InChIKeyKZIVOOWCAULHCU-UHFFFAOYSA-N
XLogP2.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine (CID 155401553) is 5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine is CCc1cc2nc(Br)ccc2[nH]1.
What is the InChIKey of 5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is KZIVOOWCAULHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-2-6-5-8-7(11-6)3-4-9(10)12-8/h3-5,11H,2H2,1H3.
What are the key properties of 5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine?
5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 225.09 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 155401553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).