3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine

C8H7N3O2 — CID 4164330

IUPAC3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine
SMILES[O-][n+]1ccn(O)c1-c1cccnc1
InChIInChI=1S/C8H7N3O2/c12-10-4-5-11(13)8(10)7-2-1-3-9-6-7/h1-6,12H
InChIKeyLQYIZESTHAAEGU-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.42
Rot. Bonds1

About 3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine

3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine (PubChem CID 4164330) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine.

Molecular Properties

Compound Name3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine
PubChem CID4164330
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine
SMILES[O-][n+]1ccn(O)c1-c1cccnc1
InChIInChI=1S/C8H7N3O2/c12-10-4-5-11(13)8(10)7-2-1-3-9-6-7/h1-6,12H
InChIKeyLQYIZESTHAAEGU-UHFFFAOYSA-N
XLogP0.42
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine?
The IUPAC name of 3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine (CID 4164330) is 3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine.
What is the SMILES notation for 3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine?
The canonical SMILES for 3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine is [O-][n+]1ccn(O)c1-c1cccnc1.
What is the InChIKey of 3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine?
The InChIKey is LQYIZESTHAAEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c12-10-4-5-11(13)8(10)7-2-1-3-9-6-7/h1-6,12H.
What are the key properties of 3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine?
3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine has a molecular weight of 177.16 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-3-oxidoimidazol-3-ium-2-yl)pyridine is sourced from PubChem (CID 4164330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).