1-oxidopyridin-1-ium

C15H15N3O3 — CID 160920472

IUPAC1-oxidopyridin-1-ium
SMILES[O-][n+]1ccccc1.[O-][n+]1ccccc1.[O-][n+]1ccccc1
InChIInChI=1S/3C5H5NO/c3*7-6-4-2-1-3-5-6/h3*1-5H
InChIKeySRYQGCCMOIZGGC-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.96
Rot. Bonds

About 1-oxidopyridin-1-ium

1-oxidopyridin-1-ium (PubChem CID 160920472) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-oxidopyridin-1-ium.

Molecular Properties

Compound Name1-oxidopyridin-1-ium
PubChem CID160920472
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-oxidopyridin-1-ium
SMILES[O-][n+]1ccccc1.[O-][n+]1ccccc1.[O-][n+]1ccccc1
InChIInChI=1S/3C5H5NO/c3*7-6-4-2-1-3-5-6/h3*1-5H
InChIKeySRYQGCCMOIZGGC-UHFFFAOYSA-N
XLogP0.96
TPSA80.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-oxidopyridin-1-ium;phosphane
CID 174541376
methane;1-oxidopyridin-1-ium
CID 70415464
azane;1-oxidopyridin-1-ium
CID 70225890
1-oxidopyridin-1-ium;hydrochloride
CID 13001057
1-oxidopyridin-1-ium;phosphoric acid
CID 175006762
ethane;methane;1-oxidopyridin-1-ium;pyridine
CID 159251318
1-oxidopyridin-1-ium;sulfonylurea
CID 88606927
N-cyclobutylpyridin-2-amine;1-oxidopyridin-1-ium
CID 160520836
1-oxidopyrimidin-1-ium;palladium
CID 175507401
1-oxido-4-(2-phenoxyethoxy)pyridin-1-ium
CID 122456025
1-oxidopyrazin-1-ium;hydrobromide
CID 175296083
pyridin-1-ium-1-ylazanide
CID 564962

Frequently Asked Questions

What is the IUPAC name of 1-oxidopyridin-1-ium?
The IUPAC name of 1-oxidopyridin-1-ium (CID 160920472) is 1-oxidopyridin-1-ium.
What is the SMILES notation for 1-oxidopyridin-1-ium?
The canonical SMILES for 1-oxidopyridin-1-ium is [O-][n+]1ccccc1.[O-][n+]1ccccc1.[O-][n+]1ccccc1.
What is the InChIKey of 1-oxidopyridin-1-ium?
The InChIKey is SRYQGCCMOIZGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H5NO/c3*7-6-4-2-1-3-5-6/h3*1-5H.
What are the key properties of 1-oxidopyridin-1-ium?
1-oxidopyridin-1-ium has a molecular weight of 285.30 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyridin-1-ium is sourced from PubChem (CID 160920472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).