1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium

C10H12N3O+ — CID 123191589

IUPAC1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium
SMILESCn1cncc1Oc1cccc[n+]1C
InChIInChI=1S/C10H12N3O/c1-12-6-4-3-5-9(12)14-10-7-11-8-13(10)2/h3-8H,1-2H3/q+1
InChIKeySPUWBCWGJMBKHK-UHFFFAOYSA-N
MW190.23 g/mol
LogP1.04
Rot. Bonds2

About 1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium

1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium (PubChem CID 123191589) has the molecular formula C10H12N3O+ and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium
PubChem CID123191589
Molecular FormulaC10H12N3O+
Molecular Weight190.23 g/mol
Exact Mass190.10
IUPAC Name1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium
SMILESCn1cncc1Oc1cccc[n+]1C
InChIInChI=1S/C10H12N3O/c1-12-6-4-3-5-9(12)14-10-7-11-8-13(10)2/h3-8H,1-2H3/q+1
InChIKeySPUWBCWGJMBKHK-UHFFFAOYSA-N
XLogP1.04
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium?
The IUPAC name of 1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium (CID 123191589) is 1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium?
The canonical SMILES for 1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium is Cn1cncc1Oc1cccc[n+]1C.
What is the InChIKey of 1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium?
The InChIKey is SPUWBCWGJMBKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N3O/c1-12-6-4-3-5-9(12)14-10-7-11-8-13(10)2/h3-8H,1-2H3/q+1.
What are the key properties of 1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium?
1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium has a molecular weight of 190.23 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylimidazol-4-yl)oxypyridin-1-ium is sourced from PubChem (CID 123191589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).