1-(1-hydroxypyridin-1-ium-4-yl)ethanone

C7H8NO2+ — CID 20670218

IUPAC1-(1-hydroxypyridin-1-ium-4-yl)ethanone
SMILESCC(=O)c1cc[n+](O)cc1
InChIInChI=1S/C7H8NO2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3/q+1
InChIKeyIPTLDUOEBIUIMQ-UHFFFAOYSA-N
MW138.15 g/mol
LogP0.41
Rot. Bonds1

About 1-(1-hydroxypyridin-1-ium-4-yl)ethanone

1-(1-hydroxypyridin-1-ium-4-yl)ethanone (PubChem CID 20670218) has the molecular formula C7H8NO2+ and a molecular weight of 138.15 g/mol. Its IUPAC name is 1-(1-hydroxypyridin-1-ium-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxypyridin-1-ium-4-yl)ethanone
PubChem CID20670218
Molecular FormulaC7H8NO2+
Molecular Weight138.15 g/mol
Exact Mass138.05
IUPAC Name1-(1-hydroxypyridin-1-ium-4-yl)ethanone
SMILESCC(=O)c1cc[n+](O)cc1
InChIInChI=1S/C7H8NO2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3/q+1
InChIKeyIPTLDUOEBIUIMQ-UHFFFAOYSA-N
XLogP0.41
TPSA41.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.15
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-acetylphenyl)-1-(1-hydroxypyridin-1-ium-4-yl)prop-2-en-1-one
CID 126959225
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-(4-acetylpyridin-1-ium-1-yl)propan-2-one
CID 58160644
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
1-(1-butylpyridin-1-ium-4-yl)ethanone bromide
CID 71696335
4-acetyl(11C)benzoic acid
CID 11205952
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357
potassium 1-phenylethanone
CID 19980201
acetic acid;1-phenylethanone
CID 159392478
1-[1-[3-(4-ethylpyridin-1-ium-1-yl)propyl]pyridin-1-ium-4-yl]ethanone
CID 129290458

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypyridin-1-ium-4-yl)ethanone?
The IUPAC name of 1-(1-hydroxypyridin-1-ium-4-yl)ethanone (CID 20670218) is 1-(1-hydroxypyridin-1-ium-4-yl)ethanone.
What is the SMILES notation for 1-(1-hydroxypyridin-1-ium-4-yl)ethanone?
The canonical SMILES for 1-(1-hydroxypyridin-1-ium-4-yl)ethanone is CC(=O)c1cc[n+](O)cc1.
What is the InChIKey of 1-(1-hydroxypyridin-1-ium-4-yl)ethanone?
The InChIKey is IPTLDUOEBIUIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO2/c1-6(9)7-2-4-8(10)5-3-7/h2-5,10H,1H3/q+1.
What are the key properties of 1-(1-hydroxypyridin-1-ium-4-yl)ethanone?
1-(1-hydroxypyridin-1-ium-4-yl)ethanone has a molecular weight of 138.15 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypyridin-1-ium-4-yl)ethanone is sourced from PubChem (CID 20670218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).