(2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone

C13H10N2O2 — CID 171375283

IUPAC(2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone
SMILESO=C(/C(=N\[O-])[n+]1ccccc1)c1ccccc1
InChIInChI=1S/C13H10N2O2/c16-12(11-7-3-1-4-8-11)13(14-17)15-9-5-2-6-10-15/h1-10H
InChIKeyBYKANLNCKKOYBQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.60
Rot. Bonds2

About (2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone

(2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone (PubChem CID 171375283) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is (2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone.

Molecular Properties

Compound Name(2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone
PubChem CID171375283
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name(2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone
SMILESO=C(/C(=N\[O-])[n+]1ccccc1)c1ccccc1
InChIInChI=1S/C13H10N2O2/c16-12(11-7-3-1-4-8-11)13(14-17)15-9-5-2-6-10-15/h1-10H
InChIKeyBYKANLNCKKOYBQ-UHFFFAOYSA-N
XLogP1.60
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
bis(1,2-diphenylethane-1,2-dione);dihydrochloride
CID 67930699
1,2-diphenylethane-1,2-dione bromide
CID 86754555
1,2-diphenylethane-1,2-dione;hydrofluoride
CID 158476796
1,2-diphenylethane-1,2-dione;iron
CID 70488368
1,2-diphenylethane-1,2-dione;sulfane
CID 159672950
bis(1,2-diphenylethane-1,2-dione);silylidenezirconium
CID 158973097
2-oxo-2-phenylacetic acid;yttrium
CID 20801354
methyl (Z)-4-oxo-4-phenyl-2-pyridin-1-ium-1-yl-3-sulfanylbut-2-enoate
CID 175434428
1-(1,2,2-triphenylethenyl)pyridin-1-ium
CID 129243431
(1E)-2-oxo-2-phenylethanehydrazonoyl chloride
CID 45080811
1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene
CID 88738435

Frequently Asked Questions

What is the IUPAC name of (2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone?
The IUPAC name of (2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone (CID 171375283) is (2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone.
What is the SMILES notation for (2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone?
The canonical SMILES for (2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone is O=C(/C(=N\[O-])[n+]1ccccc1)c1ccccc1.
What is the InChIKey of (2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone?
The InChIKey is BYKANLNCKKOYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-12(11-7-3-1-4-8-11)13(14-17)15-9-5-2-6-10-15/h1-10H.
What are the key properties of (2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone?
(2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone has a molecular weight of 226.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-oxidoimino-1-phenyl-2-pyridin-1-ium-1-ylethanone is sourced from PubChem (CID 171375283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).