6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium

C8H9N2+ — CID 169152659

IUPAC6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium
SMILESCC1=C[N+]2=CC=NC2C=C1
InChIInChI=1S/C8H9N2/c1-7-2-3-8-9-4-5-10(8)6-7/h2-6,8H,1H3/q+1
InChIKeyKDYFHLIZUYWEFB-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.95
Rot. Bonds

About 6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium

6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium (PubChem CID 169152659) has the molecular formula C8H9N2+ and a molecular weight of 133.17 g/mol. Its IUPAC name is 6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium
PubChem CID169152659
Molecular FormulaC8H9N2+
Molecular Weight133.17 g/mol
Exact Mass133.08
IUPAC Name6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium
SMILESCC1=C[N+]2=CC=NC2C=C1
InChIInChI=1S/C8H9N2/c1-7-2-3-8-9-4-5-10(8)6-7/h2-6,8H,1H3/q+1
InChIKeyKDYFHLIZUYWEFB-UHFFFAOYSA-N
XLogP0.95
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium 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 6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium (CID 169152659) is 6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium is CC1=C[N+]2=CC=NC2C=C1.
What is the InChIKey of 6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium?
The InChIKey is KDYFHLIZUYWEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N2/c1-7-2-3-8-9-4-5-10(8)6-7/h2-6,8H,1H3/q+1.
What are the key properties of 6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium?
6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium has a molecular weight of 133.17 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-8aH-imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 169152659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).