2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone

C19H16NO2+ — CID 139731334

IUPAC2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone
SMILESO=C(C[n+]1ccccc1-c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H15NO2/c21-17-11-9-15(10-12-17)18-8-4-5-13-20(18)14-19(22)16-6-2-1-3-7-16/h1-13H,14H2/p+1
InChIKeyFUSUEVTWHJVCQE-UHFFFAOYSA-O
MW290.34 g/mol
LogP3.23
Rot. Bonds4

About 2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone

2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone (PubChem CID 139731334) has the molecular formula C19H16NO2+ and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone
PubChem CID139731334
Molecular FormulaC19H16NO2+
Molecular Weight290.34 g/mol
Exact Mass290.12
IUPAC Name2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone
SMILESO=C(C[n+]1ccccc1-c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H15NO2/c21-17-11-9-15(10-12-17)18-8-4-5-13-20(18)14-19(22)16-6-2-1-3-7-16/h1-13H,14H2/p+1
InChIKeyFUSUEVTWHJVCQE-UHFFFAOYSA-O
XLogP3.23
TPSA41.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-[2-(2-sulfanylphenyl)pyridin-1-ium-1-yl]ethanone
CID 139730978
1-phenyl-2-(2-pyridin-2-ylpyridin-1-ium-1-yl)ethanone
CID 3566385
2-[2-(3-nitrophenyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139731365
2-(2-benzoylpyridin-1-ium-1-yl)-1-phenylethanone
CID 11417680
2-(2-methylpyridin-1-ium-1-yl)-1-phenylethanone iodide
CID 14438048
1-phenyl-2-(2-propylpyridin-1-ium-1-yl)ethanone
CID 3259639
2-[2-(3-azidophenyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139730981
2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenylethanone bromide
CID 16958310
2-[2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyridin-1-ium-1-yl]-1-phenylethanone;hydrobromide
CID 163330893
1-phenacylpyridin-1-ium-2-carboxamide
CID 26612065
2-[2-(bromomethyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139731698
2-[2-(4-dodecylphenyl)pyridin-1-ium-1-yl]-1-phenylethanone;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139732394

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone?
The IUPAC name of 2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone (CID 139731334) is 2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone is O=C(C[n+]1ccccc1-c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone?
The InChIKey is FUSUEVTWHJVCQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H15NO2/c21-17-11-9-15(10-12-17)18-8-4-5-13-20(18)14-19(22)16-6-2-1-3-7-16/h1-13H,14H2/p+1.
What are the key properties of 2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone?
2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone has a molecular weight of 290.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)pyridin-1-ium-1-yl]-1-phenylethanone is sourced from PubChem (CID 139731334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).