1,3-dihydroxypyridin-4-one

C5H5NO3 — CID 18474500

IUPAC1,3-dihydroxypyridin-4-one
SMILESO=c1ccn(O)cc1O
InChIInChI=1S/C5H5NO3/c7-4-1-2-6(9)3-5(4)8/h1-3,8-9H
InChIKeyBLWGJMGTXHYTQF-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.21
Rot. Bonds

About 1,3-dihydroxypyridin-4-one

1,3-dihydroxypyridin-4-one (PubChem CID 18474500) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is 1,3-dihydroxypyridin-4-one.

Molecular Properties

Compound Name1,3-dihydroxypyridin-4-one
PubChem CID18474500
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name1,3-dihydroxypyridin-4-one
SMILESO=c1ccn(O)cc1O
InChIInChI=1S/C5H5NO3/c7-4-1-2-6(9)3-5(4)8/h1-3,8-9H
InChIKeyBLWGJMGTXHYTQF-UHFFFAOYSA-N
XLogP-0.21
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,4-Pyridinediol
CID 105085
4-Pyridinol, 1-oxide
CID 23321
3-Hydroxypyridin-2-one
CID 3025073
4(1H)-Pyridinone, 3-hydroxy-1-methyl-
CID 3084936
2-Fluoro-3-hydroxy-1-methylpyridin-4-one
CID 44182418
1-Ethyl-2-fluoro-3-hydroxypyridin-4-one
CID 44192510
3-hydroxy-1-(2,2,2-trifluoroethyl)pyridin-4(1H)-one
CID 49869748
1-(2,2-Difluoroethyl)-3-hydroxypyridin-4-one
CID 88984912
1-Fluoro-3-hydroxypyridin-4-one
CID 89986503
1-(2-Fluoroethyl)-3-hydroxypyridin-4-one
CID 118407970
3-Hydroxy-1-propyl-4(1H)-pyridinone
CID 13206583
1-(Aminooxymethyl)-1,3-dihydroxypyridin-1-ium-4-one
CID 21664054

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxypyridin-4-one?
The IUPAC name of 1,3-dihydroxypyridin-4-one (CID 18474500) is 1,3-dihydroxypyridin-4-one.
What is the SMILES notation for 1,3-dihydroxypyridin-4-one?
The canonical SMILES for 1,3-dihydroxypyridin-4-one is O=c1ccn(O)cc1O.
What is the InChIKey of 1,3-dihydroxypyridin-4-one?
The InChIKey is BLWGJMGTXHYTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3/c7-4-1-2-6(9)3-5(4)8/h1-3,8-9H.
What are the key properties of 1,3-dihydroxypyridin-4-one?
1,3-dihydroxypyridin-4-one has a molecular weight of 127.10 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxypyridin-4-one is sourced from PubChem (CID 18474500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).