7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde

C9H8N2O2 — CID 46856450

IUPAC7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
SMILESCOc1ccnc2c(C=O)c[nH]c12
InChIInChI=1S/C9H8N2O2/c1-13-7-2-3-10-8-6(5-12)4-11-9(7)8/h2-5,11H,1H3
InChIKeyMFEYJIXQWQLAGX-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.38
Rot. Bonds2

About 7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde

7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde (PubChem CID 46856450) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
PubChem CID46856450
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
SMILESCOc1ccnc2c(C=O)c[nH]c12
InChIInChI=1S/C9H8N2O2/c1-13-7-2-3-10-8-6(5-12)4-11-9(7)8/h2-5,11H,1H3
InChIKeyMFEYJIXQWQLAGX-UHFFFAOYSA-N
XLogP1.38
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde 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 7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
The IUPAC name of 7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde (CID 46856450) is 7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde.
What is the SMILES notation for 7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
The canonical SMILES for 7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde is COc1ccnc2c(C=O)c[nH]c12.
What is the InChIKey of 7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
The InChIKey is MFEYJIXQWQLAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-13-7-2-3-10-8-6(5-12)4-11-9(7)8/h2-5,11H,1H3.
What are the key properties of 7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde?
7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde has a molecular weight of 176.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde is sourced from PubChem (CID 46856450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).