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

C7H6BrN2+ — CID 58368928

IUPAC2-bromo-2H-imidazo[1,2-a]pyridin-4-ium
SMILESBrC1C=[n+]2ccccc2=N1
InChIInChI=1S/C7H6BrN2/c8-6-5-10-4-2-1-3-7(10)9-6/h1-6H/q+1
InChIKeyTXQPKDSHFLRJEN-UHFFFAOYSA-N
MW198.04 g/mol
LogP0.34
Rot. Bonds

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

2-bromo-2H-imidazo[1,2-a]pyridin-4-ium (PubChem CID 58368928) has the molecular formula C7H6BrN2+ and a molecular weight of 198.04 g/mol. Its IUPAC name is 2-bromo-2H-imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name2-bromo-2H-imidazo[1,2-a]pyridin-4-ium
PubChem CID58368928
Molecular FormulaC7H6BrN2+
Molecular Weight198.04 g/mol
Exact Mass196.97
IUPAC Name2-bromo-2H-imidazo[1,2-a]pyridin-4-ium
SMILESBrC1C=[n+]2ccccc2=N1
InChIInChI=1S/C7H6BrN2/c8-6-5-10-4-2-1-3-7(10)9-6/h1-6H/q+1
InChIKeyTXQPKDSHFLRJEN-UHFFFAOYSA-N
XLogP0.34
TPSA18.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.04
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-Methyleneimidazo[1,2-a]pyridin-4-ium
CID 24198573
2H-imidazo[1,2-a]pyridin-4-ium
CID 23565484
3-Bromo-2,3-dihydroimidazo[1,2-a]pyridine
CID 130393861
3H-imidazo[1,2-a]pyridin-3-ide;rubidium(1+)
CID 170948120
potassium 3H-imidazo[1,2-a]pyridin-3-ide
CID 171541701
4-Bromo-9lambda3-ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
CID 177253547
2-Methylideneimidazo[1,2-a]pyridin-4-ium
CID 431892

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2H-imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 2-bromo-2H-imidazo[1,2-a]pyridin-4-ium (CID 58368928) is 2-bromo-2H-imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 2-bromo-2H-imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 2-bromo-2H-imidazo[1,2-a]pyridin-4-ium is BrC1C=[n+]2ccccc2=N1.
What is the InChIKey of 2-bromo-2H-imidazo[1,2-a]pyridin-4-ium?
The InChIKey is TXQPKDSHFLRJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN2/c8-6-5-10-4-2-1-3-7(10)9-6/h1-6H/q+1.
What are the key properties of 2-bromo-2H-imidazo[1,2-a]pyridin-4-ium?
2-bromo-2H-imidazo[1,2-a]pyridin-4-ium has a molecular weight of 198.04 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2H-imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 58368928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).