3-hydroxy-1H-pyridin-2-one;hydrate

C5H7NO3 — CID 22154707

IUPAC3-hydroxy-1H-pyridin-2-one;hydrate
SMILESO.O=c1[nH]cccc1O
InChIInChI=1S/C5H5NO2.H2O/c7-4-2-1-3-6-5(4)8;/h1-3,7H,(H,6,8);1H2
InChIKeyASZITPLGZRZSDY-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.74
Rot. Bonds

About 3-hydroxy-1H-pyridin-2-one;hydrate

3-hydroxy-1H-pyridin-2-one;hydrate (PubChem CID 22154707) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 3-hydroxy-1H-pyridin-2-one;hydrate.

Molecular Properties

Compound Name3-hydroxy-1H-pyridin-2-one;hydrate
PubChem CID22154707
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name3-hydroxy-1H-pyridin-2-one;hydrate
SMILESO.O=c1[nH]cccc1O
InChIInChI=1S/C5H5NO2.H2O/c7-4-2-1-3-6-5(4)8;/h1-3,7H,(H,6,8);1H2
InChIKeyASZITPLGZRZSDY-UHFFFAOYSA-N
XLogP-0.74
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1H-pyridin-2-one;hydrate?
The IUPAC name of 3-hydroxy-1H-pyridin-2-one;hydrate (CID 22154707) is 3-hydroxy-1H-pyridin-2-one;hydrate.
What is the SMILES notation for 3-hydroxy-1H-pyridin-2-one;hydrate?
The canonical SMILES for 3-hydroxy-1H-pyridin-2-one;hydrate is O.O=c1[nH]cccc1O.
What is the InChIKey of 3-hydroxy-1H-pyridin-2-one;hydrate?
The InChIKey is ASZITPLGZRZSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.H2O/c7-4-2-1-3-6-5(4)8;/h1-3,7H,(H,6,8);1H2.
What are the key properties of 3-hydroxy-1H-pyridin-2-one;hydrate?
3-hydroxy-1H-pyridin-2-one;hydrate has a molecular weight of 129.11 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1H-pyridin-2-one;hydrate is sourced from PubChem (CID 22154707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).