2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine

C9H11N3O — CID 167716505

IUPAC2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine
SMILESNCCOc1cnc2[nH]ccc2c1
InChIInChI=1S/C9H11N3O/c10-2-4-13-8-5-7-1-3-11-9(7)12-6-8/h1,3,5-6H,2,4,10H2,(H,11,12)
InChIKeyGWXPLCLNABPCAD-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.90
Rot. Bonds3

About 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine

2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine (PubChem CID 167716505) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine.

Molecular Properties

Compound Name2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine
PubChem CID167716505
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine
SMILESNCCOc1cnc2[nH]ccc2c1
InChIInChI=1S/C9H11N3O/c10-2-4-13-8-5-7-1-3-11-9(7)12-6-8/h1,3,5-6H,2,4,10H2,(H,11,12)
InChIKeyGWXPLCLNABPCAD-UHFFFAOYSA-N
XLogP0.90
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine?
The IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine (CID 167716505) is 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine.
What is the SMILES notation for 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine?
The canonical SMILES for 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine is NCCOc1cnc2[nH]ccc2c1.
What is the InChIKey of 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine?
The InChIKey is GWXPLCLNABPCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c10-2-4-13-8-5-7-1-3-11-9(7)12-6-8/h1,3,5-6H,2,4,10H2,(H,11,12).
What are the key properties of 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine?
2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine has a molecular weight of 177.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)ethanamine is sourced from PubChem (CID 167716505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).