2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide

C8H8N2 — CID 139179611

IUPAC2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide
SMILESC[n+]1[c-]n2ccccc2c1
InChIInChI=1S/C8H8N2/c1-9-6-8-4-2-3-5-10(8)7-9/h2-6H,1H3
InChIKeyCGTDSZUUBGYNSJ-UHFFFAOYSA-N
MW132.17 g/mol
LogP0.56
Rot. Bonds

About 2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide

2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide (PubChem CID 139179611) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide.

Molecular Properties

Compound Name2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide
PubChem CID139179611
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide
SMILESC[n+]1[c-]n2ccccc2c1
InChIInChI=1S/C8H8N2/c1-9-6-8-4-2-3-5-10(8)7-9/h2-6H,1H3
InChIKeyCGTDSZUUBGYNSJ-UHFFFAOYSA-N
XLogP0.56
TPSA8.29 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide?
The IUPAC name of 2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide (CID 139179611) is 2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide.
What is the SMILES notation for 2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide?
The canonical SMILES for 2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide is C[n+]1[c-]n2ccccc2c1.
What is the InChIKey of 2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide?
The InChIKey is CGTDSZUUBGYNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-9-6-8-4-2-3-5-10(8)7-9/h2-6H,1H3.
What are the key properties of 2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide?
2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide has a molecular weight of 132.17 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-imidazo[1,5-a]pyridin-2-ium-3-ide is sourced from PubChem (CID 139179611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).