3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one

C9H13NO5 — CID 171872063

IUPAC3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(O)C(O)CCO)cc1O
InChIInChI=1S/C9H13NO5/c11-2-1-6(12)8(14)5-3-7(13)9(15)10-4-5/h3-4,6,8,11-14H,1-2H2,(H,10,15)
InChIKeyALXUBWAEUPETFD-UHFFFAOYSA-N
MW215.20 g/mol
LogP-1.14
Rot. Bonds4

About 3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one

3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one (PubChem CID 171872063) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one
PubChem CID171872063
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(O)C(O)CCO)cc1O
InChIInChI=1S/C9H13NO5/c11-2-1-6(12)8(14)5-3-7(13)9(15)10-4-5/h3-4,6,8,11-14H,1-2H2,(H,10,15)
InChIKeyALXUBWAEUPETFD-UHFFFAOYSA-N
XLogP-1.14
TPSA113.78 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-1.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-amino-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one
CID 170827810
5-(3-azido-1,2-dihydroxypropyl)-3-hydroxy-1H-pyridin-2-one
CID 170825785
2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanamide
CID 171867927
2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanenitrile
CID 171869993
2,2,2-trichloro-1-[4-(1,2,4-trihydroxybutyl)-1H-pyrrol-2-yl]ethanone
CID 171872995
methyl 2,3-dihydroxy-3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)propanoate
CID 171863827
5-(4-amino-1,2-dihydroxybutyl)-3-methyl-1H-pyridin-2-one
CID 171881026
1-(3,4-difluoro-5-hydroxyphenyl)butane-1,2,4-triol
CID 171872253
3-amino-5-(3-bromo-1,2-dihydroxypropyl)-1H-pyridin-2-one
CID 171859671
1-(4-fluorophenyl)butane-1,2,4-triol
CID 171871723
1-(3,5-difluoro-4-hydroxyphenyl)butane-1,2,4-triol
CID 171872261
1-(4-hydroxy-3-nitrophenyl)butane-1,2,4-triol
CID 171872801

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one?
The IUPAC name of 3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one (CID 171872063) is 3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one?
The canonical SMILES for 3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one is O=c1[nH]cc(C(O)C(O)CCO)cc1O.
What is the InChIKey of 3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one?
The InChIKey is ALXUBWAEUPETFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c11-2-1-6(12)8(14)5-3-7(13)9(15)10-4-5/h3-4,6,8,11-14H,1-2H2,(H,10,15).
What are the key properties of 3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one?
3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one has a molecular weight of 215.20 g/mol, XLogP of -1.14, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(1,2,4-trihydroxybutyl)-1H-pyridin-2-one is sourced from PubChem (CID 171872063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).