3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium

C9H8IN2+ — CID 59176944

IUPAC3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium
SMILESC=C1N=c2cc(C)cc[n+]2=C1I
InChIInChI=1S/C9H8IN2/c1-6-3-4-12-8(5-6)11-7(2)9(12)10/h3-5H,2H2,1H3/q+1
InChIKeyRXGQCHDXGCIUHL-UHFFFAOYSA-N
MW271.08 g/mol
LogP1.20
Rot. Bonds

About 3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium

3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium (PubChem CID 59176944) has the molecular formula C9H8IN2+ and a molecular weight of 271.08 g/mol. Its IUPAC name is 3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium
PubChem CID59176944
Molecular FormulaC9H8IN2+
Molecular Weight271.08 g/mol
Exact Mass270.97
IUPAC Name3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium
SMILESC=C1N=c2cc(C)cc[n+]2=C1I
InChIInChI=1S/C9H8IN2/c1-6-3-4-12-8(5-6)11-7(2)9(12)10/h3-5H,2H2,1H3/q+1
InChIKeyRXGQCHDXGCIUHL-UHFFFAOYSA-N
XLogP1.20
TPSA18.26 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.08
LogP ≤ 51.20
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

3,4-Diethylimidazo[1,2-a]pyridin-4-ium
CID 22909639
N,1,4-trimethylpyridin-2-imine
CID 23387651
3-Iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium
CID 59176823
4,7-dimethyl-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 60111507
1-ethenyl-N,4-dimethylpyridin-2-imine
CID 122691863
2,4-Dimethylimidazo[1,2-a]pyridin-4-ium
CID 123855347
ethane;1-ethenyl-N,4-dimethylpyridin-2-imine
CID 143611153
ethane;6-methyl-3H-imidazo[1,2-a]pyridin-3-ide;rubidium(1+)
CID 153617726
N-ethyl-1,4-dimethylpyridin-2-imine
CID 154965039
methane;N,1,4-trimethylpyridin-2-imine
CID 159097161
ethane;1-ethenyl-N,4-dimethylpyridin-2-imine
CID 168188884
N,1-bis(ethenyl)-4-methylpyridin-2-imine
CID 169849125

Frequently Asked Questions

What is the IUPAC name of 3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium (CID 59176944) is 3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium is C=C1N=c2cc(C)cc[n+]2=C1I.
What is the InChIKey of 3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium?
The InChIKey is RXGQCHDXGCIUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN2/c1-6-3-4-12-8(5-6)11-7(2)9(12)10/h3-5H,2H2,1H3/q+1.
What are the key properties of 3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium?
3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium has a molecular weight of 271.08 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 59176944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).