2-pyrrolo[3,2-b]pyridin-1-ylethanamine

C9H11N3 — CID 58970178

IUPAC2-pyrrolo[3,2-b]pyridin-1-ylethanamine
SMILESNCCn1ccc2ncccc21
InChIInChI=1S/C9H11N3/c10-4-7-12-6-3-8-9(12)2-1-5-11-8/h1-3,5-6H,4,7,10H2
InChIKeyQXRPISQHZLISJU-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.00
Rot. Bonds2

About 2-pyrrolo[3,2-b]pyridin-1-ylethanamine

2-pyrrolo[3,2-b]pyridin-1-ylethanamine (PubChem CID 58970178) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-pyrrolo[3,2-b]pyridin-1-ylethanamine.

Molecular Properties

Compound Name2-pyrrolo[3,2-b]pyridin-1-ylethanamine
PubChem CID58970178
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-pyrrolo[3,2-b]pyridin-1-ylethanamine
SMILESNCCn1ccc2ncccc21
InChIInChI=1S/C9H11N3/c10-4-7-12-6-3-8-9(12)2-1-5-11-8/h1-3,5-6H,4,7,10H2
InChIKeyQXRPISQHZLISJU-UHFFFAOYSA-N
XLogP1.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolo[3,2-b]pyridin-1-ylethanamine?
The IUPAC name of 2-pyrrolo[3,2-b]pyridin-1-ylethanamine (CID 58970178) is 2-pyrrolo[3,2-b]pyridin-1-ylethanamine.
What is the SMILES notation for 2-pyrrolo[3,2-b]pyridin-1-ylethanamine?
The canonical SMILES for 2-pyrrolo[3,2-b]pyridin-1-ylethanamine is NCCn1ccc2ncccc21.
What is the InChIKey of 2-pyrrolo[3,2-b]pyridin-1-ylethanamine?
The InChIKey is QXRPISQHZLISJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c10-4-7-12-6-3-8-9(12)2-1-5-11-8/h1-3,5-6H,4,7,10H2.
What are the key properties of 2-pyrrolo[3,2-b]pyridin-1-ylethanamine?
2-pyrrolo[3,2-b]pyridin-1-ylethanamine has a molecular weight of 161.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolo[3,2-b]pyridin-1-ylethanamine is sourced from PubChem (CID 58970178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).