1-hydroxy-1-pyridin-3-ylpropan-2-one

C8H9NO2 — CID 12549519

IUPAC1-hydroxy-1-pyridin-3-ylpropan-2-one
SMILESCC(=O)C(O)c1cccnc1
InChIInChI=1S/C8H9NO2/c1-6(10)8(11)7-3-2-4-9-5-7/h2-5,8,11H,1H3
InChIKeyRSCXYOJRKWHMHG-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.70
Rot. Bonds2

About 1-hydroxy-1-pyridin-3-ylpropan-2-one

1-hydroxy-1-pyridin-3-ylpropan-2-one (PubChem CID 12549519) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-hydroxy-1-pyridin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-hydroxy-1-pyridin-3-ylpropan-2-one
PubChem CID12549519
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Name1-hydroxy-1-pyridin-3-ylpropan-2-one
SMILESCC(=O)C(O)c1cccnc1
InChIInChI=1S/C8H9NO2/c1-6(10)8(11)7-3-2-4-9-5-7/h2-5,8,11H,1H3
InChIKeyRSCXYOJRKWHMHG-UHFFFAOYSA-N
XLogP0.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N,N-dimethyl-2-pyridin-3-ylacetamide
CID 83529938
sodium 2-hydroxy-2-pyridin-3-ylacetate
CID 159760700
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
3-oxo-2-pyridin-3-ylbutanamide
CID 166794153
N,2-dihydroxy-2-pyridin-3-ylacetamide
CID 131036092
methyl 3-oxo-2-pyridin-3-ylbutanoate
CID 54382614
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
(3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid
CID 18757044
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone
CID 82509337

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-pyridin-3-ylpropan-2-one?
The IUPAC name of 1-hydroxy-1-pyridin-3-ylpropan-2-one (CID 12549519) is 1-hydroxy-1-pyridin-3-ylpropan-2-one.
What is the SMILES notation for 1-hydroxy-1-pyridin-3-ylpropan-2-one?
The canonical SMILES for 1-hydroxy-1-pyridin-3-ylpropan-2-one is CC(=O)C(O)c1cccnc1.
What is the InChIKey of 1-hydroxy-1-pyridin-3-ylpropan-2-one?
The InChIKey is RSCXYOJRKWHMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-6(10)8(11)7-3-2-4-9-5-7/h2-5,8,11H,1H3.
What are the key properties of 1-hydroxy-1-pyridin-3-ylpropan-2-one?
1-hydroxy-1-pyridin-3-ylpropan-2-one has a molecular weight of 151.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-pyridin-3-ylpropan-2-one is sourced from PubChem (CID 12549519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).