3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium

C8H6IN2+ — CID 59176823

IUPAC3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium
SMILESC=C1N=c2cccc[n+]2=C1I
InChIInChI=1S/C8H6IN2/c1-6-8(9)11-5-3-2-4-7(11)10-6/h2-5H,1H2/q+1
InChIKeyOTEXQZZENPESOZ-UHFFFAOYSA-N
MW257.05 g/mol
LogP0.89
Rot. Bonds

About 3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium

3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium (PubChem CID 59176823) has the molecular formula C8H6IN2+ and a molecular weight of 257.05 g/mol. Its IUPAC name is 3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium
PubChem CID59176823
Molecular FormulaC8H6IN2+
Molecular Weight257.05 g/mol
Exact Mass256.96
IUPAC Name3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium
SMILESC=C1N=c2cccc[n+]2=C1I
InChIInChI=1S/C8H6IN2/c1-6-8(9)11-5-3-2-4-7(11)10-6/h2-5H,1H2/q+1
InChIKeyOTEXQZZENPESOZ-UHFFFAOYSA-N
XLogP0.89
TPSA18.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.05
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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
3-methyl-2H-imidazo[1,2-a]pyridin-4-ium
CID 57742391
3-Iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium
CID 59176944
3-methyl-2H-imidazo[1,2-a]pyridin-2-ide;yttrium
CID 60004417
ethane;3-methyl-2H-imidazo[1,2-a]pyridin-4-ium
CID 91365569
(3Z,5Z)-7-methylidene-2H-pyrido[1,2-a][1,3]diazonine
CID 118176144
4-Methylimidazo[1,2-a]pyridin-4-ium
CID 123297429
2,4-Dimethylimidazo[1,2-a]pyridin-4-ium
CID 123855347
9lambda3-Ioda-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene
CID 142719697
7-Methyliodanuidyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 164058346
3H-imidazo[1,2-a]pyridin-3-ide;rubidium(1+)
CID 170948120
potassium 3H-imidazo[1,2-a]pyridin-3-ide
CID 171541701

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium (CID 59176823) is 3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium is C=C1N=c2cccc[n+]2=C1I.
What is the InChIKey of 3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium?
The InChIKey is OTEXQZZENPESOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6IN2/c1-6-8(9)11-5-3-2-4-7(11)10-6/h2-5H,1H2/q+1.
What are the key properties of 3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium?
3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium has a molecular weight of 257.05 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 59176823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).