4,5-dihydroxy-1H-pyridin-2-one

C5H5NO3 — CID 87765130

IUPAC4,5-dihydroxy-1H-pyridin-2-one
SMILESO=c1cc(O)c(O)c[nH]1
InChIInChI=1S/C5H5NO3/c7-3-1-5(9)6-2-4(3)8/h1-2,8H,(H2,6,7,9)
InChIKeyNKZIETIAJOSOJN-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.21
Rot. Bonds

About 4,5-dihydroxy-1H-pyridin-2-one

4,5-dihydroxy-1H-pyridin-2-one (PubChem CID 87765130) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 4,5-dihydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-1H-pyridin-2-one
PubChem CID87765130
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name4,5-dihydroxy-1H-pyridin-2-one
SMILESO=c1cc(O)c(O)c[nH]1
InChIInChI=1S/C5H5NO3/c7-3-1-5(9)6-2-4(3)8/h1-2,8H,(H2,6,7,9)
InChIKeyNKZIETIAJOSOJN-UHFFFAOYSA-N
XLogP-0.21
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-1H-pyridin-2-one?
The IUPAC name of 4,5-dihydroxy-1H-pyridin-2-one (CID 87765130) is 4,5-dihydroxy-1H-pyridin-2-one.
What is the SMILES notation for 4,5-dihydroxy-1H-pyridin-2-one?
The canonical SMILES for 4,5-dihydroxy-1H-pyridin-2-one is O=c1cc(O)c(O)c[nH]1.
What is the InChIKey of 4,5-dihydroxy-1H-pyridin-2-one?
The InChIKey is NKZIETIAJOSOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c7-3-1-5(9)6-2-4(3)8/h1-2,8H,(H2,6,7,9).
What are the key properties of 4,5-dihydroxy-1H-pyridin-2-one?
4,5-dihydroxy-1H-pyridin-2-one has a molecular weight of 127.10 g/mol, XLogP of -0.21, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-1H-pyridin-2-one is sourced from PubChem (CID 87765130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).