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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Related Compounds

1H-Pyrrolo(2,3-b)pyridine
CID 9222
Rolodine
CID 5359646
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 10537176
5-bromo-1H-pyrrolo[2,3-b]pyridine
CID 10307932
7-Azaindole-3-carbonitrile
CID 10313195
4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
CID 70728319
5-Phenethyl-7h-Pyrrolo[2,3-D]pyrimidine-2,4-Diamine
CID 86580355
3,5-diphenyl-1H-pyrrolo[2,3-b]pyridine
CID 57597953
5-Fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784462
2-(tert-butyl)-1H-pyrrolo[2,3-b]pyridine
CID 1484967
3-Iodo-7-azaindole
CID 5377078
3-Bromo-1H-pyrrolo[2,3-b]pyridine
CID 5523659

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).