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

C7H7N2+ — CID 23565484

IUPAC2H-imidazo[1,2-a]pyridin-4-ium
SMILESC1=[n+]2ccccc2=NC1
InChIInChI=1S/C7H7N2/c1-2-5-9-6-4-8-7(9)3-1/h1-3,5-6H,4H2/q+1
InChIKeyMNPXYOSPIDTJTL-UHFFFAOYSA-N
MW119.15 g/mol
LogP-0.38
Rot. Bonds

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

2H-imidazo[1,2-a]pyridin-4-ium (PubChem CID 23565484) has the molecular formula C7H7N2+ and a molecular weight of 119.15 g/mol. Its IUPAC name is 2H-imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name2H-imidazo[1,2-a]pyridin-4-ium
PubChem CID23565484
Molecular FormulaC7H7N2+
Molecular Weight119.15 g/mol
Exact Mass119.06
IUPAC Name2H-imidazo[1,2-a]pyridin-4-ium
SMILESC1=[n+]2ccccc2=NC1
InChIInChI=1S/C7H7N2/c1-2-5-9-6-4-8-7(9)3-1/h1-3,5-6H,4H2/q+1
InChIKeyMNPXYOSPIDTJTL-UHFFFAOYSA-N
XLogP-0.38
TPSA18.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.15
LogP ≤ 5-0.38
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 2H-imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 2H-imidazo[1,2-a]pyridin-4-ium (CID 23565484) is 2H-imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 2H-imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 2H-imidazo[1,2-a]pyridin-4-ium is C1=[n+]2ccccc2=NC1.
What is the InChIKey of 2H-imidazo[1,2-a]pyridin-4-ium?
The InChIKey is MNPXYOSPIDTJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2/c1-2-5-9-6-4-8-7(9)3-1/h1-3,5-6H,4H2/q+1.
What are the key properties of 2H-imidazo[1,2-a]pyridin-4-ium?
2H-imidazo[1,2-a]pyridin-4-ium has a molecular weight of 119.15 g/mol, XLogP of -0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 23565484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).