5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium

C7H9N2+ — CID 58430086

IUPAC5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium
SMILESC1=CC2=NCC=[N+]2CC1
InChIInChI=1S/C7H9N2/c1-2-5-9-6-4-8-7(9)3-1/h1,3,6H,2,4-5H2/q+1
InChIKeyCWPBPUIPYQVGOK-UHFFFAOYSA-N
MW121.16 g/mol
LogP0.44
Rot. Bonds

About 5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium

5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium (PubChem CID 58430086) has the molecular formula C7H9N2+ and a molecular weight of 121.16 g/mol. Its IUPAC name is 5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium
PubChem CID58430086
Molecular FormulaC7H9N2+
Molecular Weight121.16 g/mol
Exact Mass121.08
IUPAC Name5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium
SMILESC1=CC2=NCC=[N+]2CC1
InChIInChI=1S/C7H9N2/c1-2-5-9-6-4-8-7(9)3-1/h1,3,6H,2,4-5H2/q+1
InChIKeyCWPBPUIPYQVGOK-UHFFFAOYSA-N
XLogP0.44
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.16
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium (CID 58430086) is 5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium is C1=CC2=NCC=[N+]2CC1.
What is the InChIKey of 5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium?
The InChIKey is CWPBPUIPYQVGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2/c1-2-5-9-6-4-8-7(9)3-1/h1,3,6H,2,4-5H2/q+1.
What are the key properties of 5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium?
5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium has a molecular weight of 121.16 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-2H-imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 58430086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).