4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one

C6H7NO3 — CID 54718135

IUPAC4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(O)c(CO)c[nH]1
InChIInChI=1S/C6H7NO3/c8-3-4-2-7-6(10)1-5(4)9/h1-2,8H,3H2,(H2,7,9,10)
InChIKeyZJRXQFPQQJKZEN-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.43
Rot. Bonds1

About 4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one

4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 54718135) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID54718135
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(O)c(CO)c[nH]1
InChIInChI=1S/C6H7NO3/c8-3-4-2-7-6(10)1-5(4)9/h1-2,8H,3H2,(H2,7,9,10)
InChIKeyZJRXQFPQQJKZEN-UHFFFAOYSA-N
XLogP-0.43
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one (CID 54718135) is 4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one is O=c1cc(O)c(CO)c[nH]1.
What is the InChIKey of 4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is ZJRXQFPQQJKZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c8-3-4-2-7-6(10)1-5(4)9/h1-2,8H,3H2,(H2,7,9,10).
What are the key properties of 4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one?
4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 141.13 g/mol, XLogP of -0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 54718135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).