5-methyl-5H-pyrrolo[2,3-b]pyridine

C8H8N2 — CID 56972674

IUPAC5-methyl-5H-pyrrolo[2,3-b]pyridine
SMILESCC1C=NC2=NC=CC2=C1
InChIInChI=1S/C8H8N2/c1-6-4-7-2-3-9-8(7)10-5-6/h2-6H,1H3
InChIKeyQXIOKSWAUSLRPS-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.56
Rot. Bonds

About 5-methyl-5H-pyrrolo[2,3-b]pyridine

5-methyl-5H-pyrrolo[2,3-b]pyridine (PubChem CID 56972674) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 5-methyl-5H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-methyl-5H-pyrrolo[2,3-b]pyridine
PubChem CID56972674
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name5-methyl-5H-pyrrolo[2,3-b]pyridine
SMILESCC1C=NC2=NC=CC2=C1
InChIInChI=1S/C8H8N2/c1-6-4-7-2-3-9-8(7)10-5-6/h2-6H,1H3
InChIKeyQXIOKSWAUSLRPS-UHFFFAOYSA-N
XLogP1.56
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-5H-pyrrolo[2,3-b]pyridine 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 5-methyl-5H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-methyl-5H-pyrrolo[2,3-b]pyridine (CID 56972674) is 5-methyl-5H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-methyl-5H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-methyl-5H-pyrrolo[2,3-b]pyridine is CC1C=NC2=NC=CC2=C1.
What is the InChIKey of 5-methyl-5H-pyrrolo[2,3-b]pyridine?
The InChIKey is QXIOKSWAUSLRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-6-4-7-2-3-9-8(7)10-5-6/h2-6H,1H3.
What are the key properties of 5-methyl-5H-pyrrolo[2,3-b]pyridine?
5-methyl-5H-pyrrolo[2,3-b]pyridine has a molecular weight of 132.17 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 56972674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).