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

C9H9BrN2 — CID 123997708

IUPAC5-bromo-3-ethyl-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C9H9BrN2/c1-2-6-4-11-9-8(6)3-7(10)5-12-9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyBUDFNLMBEZTNQK-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.89
Rot. Bonds1

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

5-bromo-3-ethyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 123997708) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 5-bromo-3-ethyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-ethyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID123997708
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name5-bromo-3-ethyl-1H-pyrrolo[2,3-b]pyridine
SMILESCCc1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C9H9BrN2/c1-2-6-4-11-9-8(6)3-7(10)5-12-9/h3-5H,2H2,1H3,(H,11,12)
InChIKeyBUDFNLMBEZTNQK-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-ethyl-1H-pyrrolo[2,3-b]pyridine (CID 123997708) is 5-bromo-3-ethyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-ethyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-ethyl-1H-pyrrolo[2,3-b]pyridine is CCc1c[nH]c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-3-ethyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BUDFNLMBEZTNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-2-6-4-11-9-8(6)3-7(10)5-12-9/h3-5H,2H2,1H3,(H,11,12).
What are the key properties of 5-bromo-3-ethyl-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-ethyl-1H-pyrrolo[2,3-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-3-ethyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 123997708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).