3,4,5-trihydroxy-1H-pyridin-2-one

C5H5NO4 — CID 56624849

IUPAC3,4,5-trihydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(O)c(O)c1O
InChIInChI=1S/C5H5NO4/c7-2-1-6-5(10)4(9)3(2)8/h1,7,9H,(H2,6,8,10)
InChIKeyZUJVWTIQQMSESW-UHFFFAOYSA-N
MW143.10 g/mol
LogP-0.51
Rot. Bonds

About 3,4,5-trihydroxy-1H-pyridin-2-one

3,4,5-trihydroxy-1H-pyridin-2-one (PubChem CID 56624849) has the molecular formula C5H5NO4 and a molecular weight of 143.10 g/mol. Its IUPAC name is 3,4,5-trihydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3,4,5-trihydroxy-1H-pyridin-2-one
PubChem CID56624849
Molecular FormulaC5H5NO4
Molecular Weight143.10 g/mol
Exact Mass143.02
IUPAC Name3,4,5-trihydroxy-1H-pyridin-2-one
SMILESO=c1[nH]cc(O)c(O)c1O
InChIInChI=1S/C5H5NO4/c7-2-1-6-5(10)4(9)3(2)8/h1,7,9H,(H2,6,8,10)
InChIKeyZUJVWTIQQMSESW-UHFFFAOYSA-N
XLogP-0.51
TPSA93.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trihydroxy-1H-pyridin-2-one?
The IUPAC name of 3,4,5-trihydroxy-1H-pyridin-2-one (CID 56624849) is 3,4,5-trihydroxy-1H-pyridin-2-one.
What is the SMILES notation for 3,4,5-trihydroxy-1H-pyridin-2-one?
The canonical SMILES for 3,4,5-trihydroxy-1H-pyridin-2-one is O=c1[nH]cc(O)c(O)c1O.
What is the InChIKey of 3,4,5-trihydroxy-1H-pyridin-2-one?
The InChIKey is ZUJVWTIQQMSESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO4/c7-2-1-6-5(10)4(9)3(2)8/h1,7,9H,(H2,6,8,10).
What are the key properties of 3,4,5-trihydroxy-1H-pyridin-2-one?
3,4,5-trihydroxy-1H-pyridin-2-one has a molecular weight of 143.10 g/mol, XLogP of -0.51, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trihydroxy-1H-pyridin-2-one is sourced from PubChem (CID 56624849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).