2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine

C9H10BrN3 — CID 117223836

IUPAC2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine
SMILESNCCn1ccc2cc(Br)cnc21
InChIInChI=1S/C9H10BrN3/c10-8-5-7-1-3-13(4-2-11)9(7)12-6-8/h1,3,5-6H,2,4,11H2
InChIKeyRONFMALMGRETQO-UHFFFAOYSA-N
MW240.10 g/mol
LogP1.76
Rot. Bonds2

About 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine

2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine (PubChem CID 117223836) has the molecular formula C9H10BrN3 and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine
PubChem CID117223836
Molecular FormulaC9H10BrN3
Molecular Weight240.10 g/mol
Exact Mass239.01
IUPAC Name2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine
SMILESNCCn1ccc2cc(Br)cnc21
InChIInChI=1S/C9H10BrN3/c10-8-5-7-1-3-13(4-2-11)9(7)12-6-8/h1,3,5-6H,2,4,11H2
InChIKeyRONFMALMGRETQO-UHFFFAOYSA-N
XLogP1.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine?
The IUPAC name of 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine (CID 117223836) is 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine is NCCn1ccc2cc(Br)cnc21.
What is the InChIKey of 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine?
The InChIKey is RONFMALMGRETQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3/c10-8-5-7-1-3-13(4-2-11)9(7)12-6-8/h1,3,5-6H,2,4,11H2.
What are the key properties of 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine?
2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine has a molecular weight of 240.10 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrrolo[2,3-b]pyridin-1-yl)ethanamine is sourced from PubChem (CID 117223836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).