1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone

C9H9NO3 — CID 121458605

IUPAC1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone
SMILESCC(=O)c1cncc(C(=O)CO)c1
InChIInChI=1S/C9H9NO3/c1-6(12)7-2-8(4-10-3-7)9(13)5-11/h2-4,11H,5H2,1H3
InChIKeyQSEDBMMIESQCEP-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.46
Rot. Bonds3

About 1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone

1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone (PubChem CID 121458605) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone
PubChem CID121458605
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone
SMILESCC(=O)c1cncc(C(=O)CO)c1
InChIInChI=1S/C9H9NO3/c1-6(12)7-2-8(4-10-3-7)9(13)5-11/h2-4,11H,5H2,1H3
InChIKeyQSEDBMMIESQCEP-UHFFFAOYSA-N
XLogP0.46
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-(5-hydroxy-3-pyridinyl)ethanone
CID 89196643
1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone
CID 170476646
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
(5-acetyl-3-pyridinyl)methyl formate
CID 174962046
1-[5-(2H-triazol-4-yl)-3-pyridinyl]ethanone
CID 171794490
1-(5-sulfanyl-3-pyridinyl)propan-1-one
CID 143328134
1-(5-fluoro-3-pyridinyl)-3-methylbut-3-en-1-one
CID 105112516
3-N,5-N-bis(2-hydroxyethyl)-3-N,5-N-dimethylpyridine-3,5-dicarboxamide
CID 22458041
1-[5-(2-trimethylsilylethynyl)-3-pyridinyl]ethanone
CID 172994129
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarbonyl bromide
CID 139466513
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone?
The IUPAC name of 1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone (CID 121458605) is 1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone.
What is the SMILES notation for 1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone?
The canonical SMILES for 1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone is CC(=O)c1cncc(C(=O)CO)c1.
What is the InChIKey of 1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone?
The InChIKey is QSEDBMMIESQCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-6(12)7-2-8(4-10-3-7)9(13)5-11/h2-4,11H,5H2,1H3.
What are the key properties of 1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone?
1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone has a molecular weight of 179.17 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-3-pyridinyl)-2-hydroxyethanone is sourced from PubChem (CID 121458605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).