4-ethylimidazo[1,2-a]pyridin-4-ium

C9H11N2+ — CID 18001023

IUPAC4-ethylimidazo[1,2-a]pyridin-4-ium
SMILESCC[N+]12C=CC=CC1=NC=C2
InChIInChI=1S/C9H11N2/c1-2-11-7-4-3-5-9(11)10-6-8-11/h3-8H,2H2,1H3/q+1
InChIKeyFAAOZQAFKCWJSK-UHFFFAOYSA-N
MW147.20 g/mol
LogP1.79
Rot. Bonds1

About 4-ethylimidazo[1,2-a]pyridin-4-ium

4-ethylimidazo[1,2-a]pyridin-4-ium (PubChem CID 18001023) has the molecular formula C9H11N2+ and a molecular weight of 147.20 g/mol. Its IUPAC name is 4-ethylimidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name4-ethylimidazo[1,2-a]pyridin-4-ium
PubChem CID18001023
Molecular FormulaC9H11N2+
Molecular Weight147.20 g/mol
Exact Mass147.09
IUPAC Name4-ethylimidazo[1,2-a]pyridin-4-ium
SMILESCC[N+]12C=CC=CC1=NC=C2
InChIInChI=1S/C9H11N2/c1-2-11-7-4-3-5-9(11)10-6-8-11/h3-8H,2H2,1H3/q+1
InChIKeyFAAOZQAFKCWJSK-UHFFFAOYSA-N
XLogP1.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethylimidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 4-ethylimidazo[1,2-a]pyridin-4-ium (CID 18001023) is 4-ethylimidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 4-ethylimidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 4-ethylimidazo[1,2-a]pyridin-4-ium is CC[N+]12C=CC=CC1=NC=C2.
What is the InChIKey of 4-ethylimidazo[1,2-a]pyridin-4-ium?
The InChIKey is FAAOZQAFKCWJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2/c1-2-11-7-4-3-5-9(11)10-6-8-11/h3-8H,2H2,1H3/q+1.
What are the key properties of 4-ethylimidazo[1,2-a]pyridin-4-ium?
4-ethylimidazo[1,2-a]pyridin-4-ium has a molecular weight of 147.20 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylimidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 18001023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).