[1]benzofuro[2,3-b]pyridin-5-amine

C11H8N2O — CID 118860660

IUPAC[1]benzofuro[2,3-b]pyridin-5-amine
SMILESNc1cccc2oc3ncccc3c12
InChIInChI=1S/C11H8N2O/c12-8-4-1-5-9-10(8)7-3-2-6-13-11(7)14-9/h1-6H,12H2
InChIKeyZWPGNXHSSSBYDL-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.56
Rot. Bonds

About [1]benzofuro[2,3-b]pyridin-5-amine

[1]benzofuro[2,3-b]pyridin-5-amine (PubChem CID 118860660) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is [1]benzofuro[2,3-b]pyridin-5-amine.

Molecular Properties

Compound Name[1]benzofuro[2,3-b]pyridin-5-amine
PubChem CID118860660
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name[1]benzofuro[2,3-b]pyridin-5-amine
SMILESNc1cccc2oc3ncccc3c12
InChIInChI=1S/C11H8N2O/c12-8-4-1-5-9-10(8)7-3-2-6-13-11(7)14-9/h1-6H,12H2
InChIKeyZWPGNXHSSSBYDL-UHFFFAOYSA-N
XLogP2.56
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [1]benzofuro[2,3-b]pyridin-5-amine 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 [1]benzofuro[2,3-b]pyridin-5-amine?
The IUPAC name of [1]benzofuro[2,3-b]pyridin-5-amine (CID 118860660) is [1]benzofuro[2,3-b]pyridin-5-amine.
What is the SMILES notation for [1]benzofuro[2,3-b]pyridin-5-amine?
The canonical SMILES for [1]benzofuro[2,3-b]pyridin-5-amine is Nc1cccc2oc3ncccc3c12.
What is the InChIKey of [1]benzofuro[2,3-b]pyridin-5-amine?
The InChIKey is ZWPGNXHSSSBYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c12-8-4-1-5-9-10(8)7-3-2-6-13-11(7)14-9/h1-6H,12H2.
What are the key properties of [1]benzofuro[2,3-b]pyridin-5-amine?
[1]benzofuro[2,3-b]pyridin-5-amine has a molecular weight of 184.20 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzofuro[2,3-b]pyridin-5-amine is sourced from PubChem (CID 118860660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).