3-deuterio-4-hydroxy-1H-pyridin-2-one

C5H5NO2 — CID 175746473

IUPAC3-deuterio-4-hydroxy-1H-pyridin-2-one
SMILES[2H]c1c(O)cc[nH]c1=O
InChIInChI=1S/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)/i3D
InChIKeyZEZJPIDPVXJEME-WFVSFCRTSA-N
MW112.11 g/mol
LogP0.08
Rot. Bonds

About 3-deuterio-4-hydroxy-1H-pyridin-2-one

3-deuterio-4-hydroxy-1H-pyridin-2-one (PubChem CID 175746473) has the molecular formula C5H5NO2 and a molecular weight of 112.11 g/mol. Its IUPAC name is 3-deuterio-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-deuterio-4-hydroxy-1H-pyridin-2-one
PubChem CID175746473
Molecular FormulaC5H5NO2
Molecular Weight112.11 g/mol
Exact Mass112.04
IUPAC Name3-deuterio-4-hydroxy-1H-pyridin-2-one
SMILES[2H]c1c(O)cc[nH]c1=O
InChIInChI=1S/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)/i3D
InChIKeyZEZJPIDPVXJEME-WFVSFCRTSA-N
XLogP0.08
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.11
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Gimeracil
CID 54679224
2,3-Dihydroxypyridine
CID 28115
5-hydroxy-2(1H)-pyridinone
CID 99456
4-Hydroxy-2(1H)-pyridinone
CID 54696004
4-Hydroxy-1-methyl-1,2-dihydropyridin-2-one
CID 54684523
3-Chloro-4-hydroxypyridin-2(1H)-one
CID 54682528
5-Bromo-4-hydroxy-2(1H)-pyridinone
CID 54734254
Pyridin-2(1H)-one--water (1/1)
CID 22366125
3,4-Dihydroxypyridin-2(1H)-one
CID 54707960
3-Bromo-4-hydroxypyridin-2(1h)-one
CID 54715668
4-Hydroxy-3-iodopyridin-2(1H)-one
CID 54719033
4-Hydroxy-3-methyl-2(1H)-pyridinone
CID 54723665

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 3-deuterio-4-hydroxy-1H-pyridin-2-one (CID 175746473) is 3-deuterio-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 3-deuterio-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 3-deuterio-4-hydroxy-1H-pyridin-2-one is [2H]c1c(O)cc[nH]c1=O.
What is the InChIKey of 3-deuterio-4-hydroxy-1H-pyridin-2-one?
The InChIKey is ZEZJPIDPVXJEME-WFVSFCRTSA-N. The full InChI is InChI=1S/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)/i3D.
What are the key properties of 3-deuterio-4-hydroxy-1H-pyridin-2-one?
3-deuterio-4-hydroxy-1H-pyridin-2-one has a molecular weight of 112.11 g/mol, XLogP of 0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 175746473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).