8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide

C10H13IN2O — CID 139225553

IUPAC8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide
SMILESCOc1c(C)ccn2cc[n+](C)c12.[I-]
InChIInChI=1S/C10H13N2O.HI/c1-8-4-5-12-7-6-11(2)10(12)9(8)13-3;/h4-7H,1-3H3;1H/q+1;/p-1
InChIKeyIEZYDZNDKWLWOV-UHFFFAOYSA-M
MW304.13 g/mol
LogP-1.92
Rot. Bonds1

About 8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide

8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide (PubChem CID 139225553) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is 8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide.

Molecular Properties

Compound Name8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide
PubChem CID139225553
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC Name8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide
SMILESCOc1c(C)ccn2cc[n+](C)c12.[I-]
InChIInChI=1S/C10H13N2O.HI/c1-8-4-5-12-7-6-11(2)10(12)9(8)13-3;/h4-7H,1-3H3;1H/q+1;/p-1
InChIKeyIEZYDZNDKWLWOV-UHFFFAOYSA-M
XLogP-1.92
TPSA17.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 5-1.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide?
The IUPAC name of 8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide (CID 139225553) is 8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide.
What is the SMILES notation for 8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide?
The canonical SMILES for 8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide is COc1c(C)ccn2cc[n+](C)c12.[I-].
What is the InChIKey of 8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide?
The InChIKey is IEZYDZNDKWLWOV-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13N2O.HI/c1-8-4-5-12-7-6-11(2)10(12)9(8)13-3;/h4-7H,1-3H3;1H/q+1;/p-1.
What are the key properties of 8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide?
8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide has a molecular weight of 304.13 g/mol, XLogP of -1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,7-dimethylimidazo[1,2-a]pyridin-1-ium iodide is sourced from PubChem (CID 139225553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).