1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one

C6H5N3O2 — CID 71456592

IUPAC1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncccc2n1O
InChIInChI=1S/C6H5N3O2/c10-6-8-5-4(9(6)11)2-1-3-7-5/h1-3,11H,(H,7,8,10)
InChIKeyBXSVNVJMZAMGGN-UHFFFAOYSA-N
MW151.12 g/mol
LogP-0.04
Rot. Bonds

About 1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one

1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 71456592) has the molecular formula C6H5N3O2 and a molecular weight of 151.12 g/mol. Its IUPAC name is 1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID71456592
Molecular FormulaC6H5N3O2
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Name1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncccc2n1O
InChIInChI=1S/C6H5N3O2/c10-6-8-5-4(9(6)11)2-1-3-7-5/h1-3,11H,(H,7,8,10)
InChIKeyBXSVNVJMZAMGGN-UHFFFAOYSA-N
XLogP-0.04
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-0.04
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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one (CID 71456592) is 1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncccc2n1O.
What is the InChIKey of 1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is BXSVNVJMZAMGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O2/c10-6-8-5-4(9(6)11)2-1-3-7-5/h1-3,11H,(H,7,8,10).
What are the key properties of 1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one?
1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 151.12 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 71456592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).