2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone

C20H16NO2+ — CID 11417680

IUPAC2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone
SMILESO=C(C[n+]1ccccc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16NO2/c22-19(16-9-3-1-4-10-16)15-21-14-8-7-13-18(21)20(23)17-11-5-2-6-12-17/h1-14H,15H2/q+1
InChIKeyNBJFHSWYQBPKCM-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.09
Rot. Bonds5

About 2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone

2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone (PubChem CID 11417680) has the molecular formula C20H16NO2+ and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone
PubChem CID11417680
Molecular FormulaC20H16NO2+
Molecular Weight302.35 g/mol
Exact Mass302.12
IUPAC Name2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone
SMILESO=C(C[n+]1ccccc1C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H16NO2/c22-19(16-9-3-1-4-10-16)15-21-14-8-7-13-18(21)20(23)17-11-5-2-6-12-17/h1-14H,15H2/q+1
InChIKeyNBJFHSWYQBPKCM-UHFFFAOYSA-N
XLogP3.09
TPSA38.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenacylpyridin-1-ium-2-carboxamide
CID 26612065
2-[2-(bromomethyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139731698
cyclohexyl 1-phenacylpyridin-1-ium-2-carboxylate
CID 139731654
2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone iodide
CID 14438048
2-(2-methoxypyridin-1-ium-1-yl)-1-phenylethanone
CID 5137291
1-phenyl-2-(2-propylpyridin-1-ium-1-yl)ethanone
CID 3259639
2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139731334
2-(2-benzylpyridin-1-ium-1-yl)-1-phenylethanone bromide
CID 12747341
azane;1-phenyl-2-pyridin-1-ium-1-ylethanone
CID 175247210
tris(1-phenyl-2-pyridin-1-ium-1-ylethanone);tribromide
CID 174706488
1-phenyl-2-(2-prop-1-ynylpyridin-1-ium-1-yl)ethanone
CID 13412718
2-[2-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-1-phenylethanone
CID 135683473

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone?
The IUPAC name of 2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone (CID 11417680) is 2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone.
What is the SMILES notation for 2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone?
The canonical SMILES for 2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone is O=C(C[n+]1ccccc1C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone?
The InChIKey is NBJFHSWYQBPKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16NO2/c22-19(16-9-3-1-4-10-16)15-21-14-8-7-13-18(21)20(23)17-11-5-2-6-12-17/h1-14H,15H2/q+1.
What are the key properties of 2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone?
2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone has a molecular weight of 302.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone is sourced from PubChem (CID 11417680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).