1-oxidopyridin-1-ium-3-ol

C5H5NO2 — CID 23069

IUPAC1-oxidopyridin-1-ium-3-ol
SMILES[O-][n+]1cccc(O)c1
InChIInChI=1S/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4,7H
InChIKeyYMEZKRMAPQIBQH-UHFFFAOYSA-N
MW111.10 g/mol
LogP0.03
Rot. Bonds

About 1-oxidopyridin-1-ium-3-ol

1-oxidopyridin-1-ium-3-ol (PubChem CID 23069) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is 1-oxidopyridin-1-ium-3-ol.

Molecular Properties

Compound Name1-oxidopyridin-1-ium-3-ol
PubChem CID23069
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name1-oxidopyridin-1-ium-3-ol
SMILES[O-][n+]1cccc(O)c1
InChIInChI=1S/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4,7H
InChIKeyYMEZKRMAPQIBQH-UHFFFAOYSA-N
XLogP0.03
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxidopyridin-1-ium-3-ol?
The IUPAC name of 1-oxidopyridin-1-ium-3-ol (CID 23069) is 1-oxidopyridin-1-ium-3-ol.
What is the SMILES notation for 1-oxidopyridin-1-ium-3-ol?
The canonical SMILES for 1-oxidopyridin-1-ium-3-ol is [O-][n+]1cccc(O)c1.
What is the InChIKey of 1-oxidopyridin-1-ium-3-ol?
The InChIKey is YMEZKRMAPQIBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2/c7-5-2-1-3-6(8)4-5/h1-4,7H.
What are the key properties of 1-oxidopyridin-1-ium-3-ol?
1-oxidopyridin-1-ium-3-ol has a molecular weight of 111.10 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyridin-1-ium-3-ol is sourced from PubChem (CID 23069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).