1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one

C10H8N2O2 — CID 125114801

IUPAC1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one
SMILESO=c1ccccn1-c1cccc[n+]1[O-]
InChIInChI=1S/C10H8N2O2/c13-10-6-2-3-7-11(10)9-5-1-4-8-12(9)14/h1-8H
InChIKeyPOWQXWPZTNDSNB-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.47
Rot. Bonds1

About 1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one

1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one (PubChem CID 125114801) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one
PubChem CID125114801
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one
SMILESO=c1ccccn1-c1cccc[n+]1[O-]
InChIInChI=1S/C10H8N2O2/c13-10-6-2-3-7-11(10)9-5-1-4-8-12(9)14/h1-8H
InChIKeyPOWQXWPZTNDSNB-UHFFFAOYSA-N
XLogP0.47
TPSA48.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.47
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-(4-methylphenyl)pyridin-2-one
CID 10821386
1-(4-chlorophenyl)pyridin-2-one
CID 68957992
1-[4-(oxidoamino)phenyl]pyridin-2-one
CID 142825420
1-(4-amino-3,5-difluorophenyl)pyridin-2-one
CID 69109261
ethane;1-(4-propan-2-ylphenyl)pyridin-2-one
CID 167489788
1-(6-chloro-3-pyridinyl)pyridin-2-one
CID 135221335
1-(6-fluoro-3-pyridinyl)pyridin-2-one
CID 58269450
molecular hydrogen;4-(2-oxo-1-pyridinyl)benzamide
CID 143214195
N'-hydroxy-4-(2-oxo-1-pyridinyl)benzenecarboximidamide
CID 76573123
1-(5-methylthiophen-2-yl)pyridin-2-one
CID 23543286
3-methyl-1-phenylpyrimidine-2,4-dione
CID 14566646
1-(4-amino-2,6-dimethylphenyl)pyridin-2-one
CID 129044115

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one?
The IUPAC name of 1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one (CID 125114801) is 1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one.
What is the SMILES notation for 1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one?
The canonical SMILES for 1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one is O=c1ccccn1-c1cccc[n+]1[O-].
What is the InChIKey of 1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one?
The InChIKey is POWQXWPZTNDSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10-6-2-3-7-11(10)9-5-1-4-8-12(9)14/h1-8H.
What are the key properties of 1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one?
1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one has a molecular weight of 188.19 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxidopyridin-1-ium-2-yl)pyridin-2-one is sourced from PubChem (CID 125114801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).