5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one

C8H7N3O2 — CID 57110484

IUPAC5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one
SMILESO=c1[nH]c(O)cn1-c1cccnc1
InChIInChI=1S/C8H7N3O2/c12-7-5-11(8(13)10-7)6-2-1-3-9-4-6/h1-5,12H,(H,10,13)
InChIKeyVJKNDXZKMASVRS-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.27
Rot. Bonds1

About 5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one

5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one (PubChem CID 57110484) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one
PubChem CID57110484
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one
SMILESO=c1[nH]c(O)cn1-c1cccnc1
InChIInChI=1S/C8H7N3O2/c12-7-5-11(8(13)10-7)6-2-1-3-9-4-6/h1-5,12H,(H,10,13)
InChIKeyVJKNDXZKMASVRS-UHFFFAOYSA-N
XLogP0.27
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one?
The IUPAC name of 5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one (CID 57110484) is 5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one.
What is the SMILES notation for 5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one?
The canonical SMILES for 5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one is O=c1[nH]c(O)cn1-c1cccnc1.
What is the InChIKey of 5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one?
The InChIKey is VJKNDXZKMASVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-7-5-11(8(13)10-7)6-2-1-3-9-4-6/h1-5,12H,(H,10,13).
What are the key properties of 5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one?
5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one has a molecular weight of 177.16 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-pyridin-3-yl-1H-imidazol-2-one is sourced from PubChem (CID 57110484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).