1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate

C8H8N2O3S — CID 3553603

IUPAC1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate
SMILESC[n+]1ccn2cc(S(=O)(=O)[O-])ccc21
InChIInChI=1S/C8H8N2O3S/c1-9-4-5-10-6-7(14(11,12)13)2-3-8(9)10/h2-6H,1H3
InChIKeyZUFZPAJCEJFRQR-UHFFFAOYSA-N
MW212.23 g/mol
LogP-0.33
Rot. Bonds1

About 1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate

1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate (PubChem CID 3553603) has the molecular formula C8H8N2O3S and a molecular weight of 212.23 g/mol. Its IUPAC name is 1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate.

Molecular Properties

Compound Name1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate
PubChem CID3553603
Molecular FormulaC8H8N2O3S
Molecular Weight212.23 g/mol
Exact Mass212.03
IUPAC Name1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate
SMILESC[n+]1ccn2cc(S(=O)(=O)[O-])ccc21
InChIInChI=1S/C8H8N2O3S/c1-9-4-5-10-6-7(14(11,12)13)2-3-8(9)10/h2-6H,1H3
InChIKeyZUFZPAJCEJFRQR-UHFFFAOYSA-N
XLogP-0.33
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate?
The IUPAC name of 1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate (CID 3553603) is 1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate.
What is the SMILES notation for 1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate?
The canonical SMILES for 1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate is C[n+]1ccn2cc(S(=O)(=O)[O-])ccc21.
What is the InChIKey of 1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate?
The InChIKey is ZUFZPAJCEJFRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3S/c1-9-4-5-10-6-7(14(11,12)13)2-3-8(9)10/h2-6H,1H3.
What are the key properties of 1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate?
1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate has a molecular weight of 212.23 g/mol, XLogP of -0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazo[1,2-a]pyridin-1-ium-6-sulfonate is sourced from PubChem (CID 3553603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).