2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol

C9H10N3O4+ — CID 139594208

IUPAC2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol
SMILESO=[N+]([O-])c1c(OCCO)[nH][n+]2ccccc12
InChIInChI=1S/C9H9N3O4/c13-5-6-16-9-8(12(14)15)7-3-1-2-4-11(7)10-9/h1-4,13H,5-6H2/p+1
InChIKeyAOQNDOQWDRFZEO-UHFFFAOYSA-O
MW224.20 g/mol
LogP0.03
Rot. Bonds4

About 2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol

2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol (PubChem CID 139594208) has the molecular formula C9H10N3O4+ and a molecular weight of 224.20 g/mol. Its IUPAC name is 2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol.

Molecular Properties

Compound Name2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol
PubChem CID139594208
Molecular FormulaC9H10N3O4+
Molecular Weight224.20 g/mol
Exact Mass224.07
IUPAC Name2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol
SMILESO=[N+]([O-])c1c(OCCO)[nH][n+]2ccccc12
InChIInChI=1S/C9H9N3O4/c13-5-6-16-9-8(12(14)15)7-3-1-2-4-11(7)10-9/h1-4,13H,5-6H2/p+1
InChIKeyAOQNDOQWDRFZEO-UHFFFAOYSA-O
XLogP0.03
TPSA92.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol?
The IUPAC name of 2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol (CID 139594208) is 2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol.
What is the SMILES notation for 2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol?
The canonical SMILES for 2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol is O=[N+]([O-])c1c(OCCO)[nH][n+]2ccccc12.
What is the InChIKey of 2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol?
The InChIKey is AOQNDOQWDRFZEO-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9N3O4/c13-5-6-16-9-8(12(14)15)7-3-1-2-4-11(7)10-9/h1-4,13H,5-6H2/p+1.
What are the key properties of 2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol?
2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol has a molecular weight of 224.20 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitro-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol is sourced from PubChem (CID 139594208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).