4-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium

C9H8FN2+ — CID 69092720

IUPAC4-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium
SMILESC=C[N+]12C=CN=C1C=C(F)C=C2
InChIInChI=1S/C9H8FN2/c1-2-12-5-3-8(10)7-9(12)11-4-6-12/h2-7H,1H2/q+1
InChIKeyOJTNUQGLBMAHNF-UHFFFAOYSA-N
MW163.17 g/mol
LogP2.21
Rot. Bonds1

About 4-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium

4-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium (PubChem CID 69092720) has the molecular formula C9H8FN2+ and a molecular weight of 163.17 g/mol. Its IUPAC name is 4-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name4-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium
PubChem CID69092720
Molecular FormulaC9H8FN2+
Molecular Weight163.17 g/mol
Exact Mass163.07
IUPAC Name4-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium
SMILESC=C[N+]12C=CN=C1C=C(F)C=C2
InChIInChI=1S/C9H8FN2/c1-2-12-5-3-8(10)7-9(12)11-4-6-12/h2-7H,1H2/q+1
InChIKeyOJTNUQGLBMAHNF-UHFFFAOYSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 52.21
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-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 4-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium (CID 69092720) is 4-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 4-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 4-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium is C=C[N+]12C=CN=C1C=C(F)C=C2.
What is the InChIKey of 4-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium?
The InChIKey is OJTNUQGLBMAHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN2/c1-2-12-5-3-8(10)7-9(12)11-4-6-12/h2-7H,1H2/q+1.
What are the key properties of 4-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium?
4-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium has a molecular weight of 163.17 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-7-fluoroimidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 69092720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).