1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine

C8H9N3 — CID 46856478

IUPAC1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine
SMILESNCc1cc2ncccc2[nH]1
InChIInChI=1S/C8H9N3/c9-5-6-4-8-7(11-6)2-1-3-10-8/h1-4,11H,5,9H2
InChIKeyMOXYTDCSLMGIAY-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.02
Rot. Bonds1

About 1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine

1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine (PubChem CID 46856478) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine.

Molecular Properties

Compound Name1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine
PubChem CID46856478
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine
SMILESNCc1cc2ncccc2[nH]1
InChIInChI=1S/C8H9N3/c9-5-6-4-8-7(11-6)2-1-3-10-8/h1-4,11H,5,9H2
InChIKeyMOXYTDCSLMGIAY-UHFFFAOYSA-N
XLogP1.02
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine?
The IUPAC name of 1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine (CID 46856478) is 1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine.
What is the SMILES notation for 1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine?
The canonical SMILES for 1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine is NCc1cc2ncccc2[nH]1.
What is the InChIKey of 1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine?
The InChIKey is MOXYTDCSLMGIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c9-5-6-4-8-7(11-6)2-1-3-10-8/h1-4,11H,5,9H2.
What are the key properties of 1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine?
1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine has a molecular weight of 147.18 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[3,2-b]pyridin-2-ylmethanamine is sourced from PubChem (CID 46856478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).