5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one

C8H11NO4 — CID 170818894

IUPAC5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
SMILESO=c1ccc(C(O)C(O)CO)c[nH]1
InChIInChI=1S/C8H11NO4/c10-4-6(11)8(13)5-1-2-7(12)9-3-5/h1-3,6,8,10-11,13H,4H2,(H,9,12)
InChIKeyORIYKYZDEGVIOB-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.24
Rot. Bonds3

About 5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one

5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one (PubChem CID 170818894) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
PubChem CID170818894
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one
SMILESO=c1ccc(C(O)C(O)CO)c[nH]1
InChIInChI=1S/C8H11NO4/c10-4-6(11)8(13)5-1-2-7(12)9-3-5/h1-3,6,8,10-11,13H,4H2,(H,9,12)
InChIKeyORIYKYZDEGVIOB-UHFFFAOYSA-N
XLogP-1.24
TPSA93.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromo-1,2-dihydroxybutyl)-1H-pyridin-2-one
CID 171893071
3,4-dihydroxy-4-(6-oxo-1H-pyridin-3-yl)butanamide
CID 171900236
2,3-dihydroxy-3-(6-oxo-1H-pyridin-3-yl)propanenitrile
CID 171871292
5-[(1R,2R)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
CID 131115674
5-[(1S,2S)-2-amino-1-hydroxy-3-methylbutyl]-1H-pyridin-2-one
CID 131145454
5-[(1R)-1-amino-3-hydroxypropyl]-1H-pyridin-2-one
CID 55292250
(1S)-1-(4-hydroxyphenyl)propane-1,2,3-triol
CID 141239504
6-(3-chloro-1,2-dihydroxypropyl)-2H-isoquinolin-3-one
CID 171862826
2-(6-oxo-1H-pyridin-3-yl)propanediamide
CID 173126587
4-oxo-7-(1,2,3-trihydroxypropyl)-1H-quinoline-3-carboxylic acid
CID 170818857
5-(1-aminoethyl)-1H-pyridin-2-one;hydrochloride
CID 105435949
3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one
CID 171872063

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
The IUPAC name of 5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one (CID 170818894) is 5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one is O=c1ccc(C(O)C(O)CO)c[nH]1.
What is the InChIKey of 5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
The InChIKey is ORIYKYZDEGVIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c10-4-6(11)8(13)5-1-2-7(12)9-3-5/h1-3,6,8,10-11,13H,4H2,(H,9,12).
What are the key properties of 5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one?
5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one has a molecular weight of 185.18 g/mol, XLogP of -1.24, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3-trihydroxypropyl)-1H-pyridin-2-one is sourced from PubChem (CID 170818894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).