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

C9H13ClN3O2+ — CID 139595213

IUPAC2-[(3-amino-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol;hydrochloride
SMILESCl.Nc1c(OCCO)[nH][n+]2ccccc12
InChIInChI=1S/C9H11N3O2.ClH/c10-8-7-3-1-2-4-12(7)11-9(8)14-6-5-13;/h1-4,13H,5-6,10H2;1H/p+1
InChIKeyHFFCVKYVJNYQLA-UHFFFAOYSA-O
MW230.68 g/mol
LogP0.13
Rot. Bonds3

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

2-[(3-amino-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol;hydrochloride (PubChem CID 139595213) has the molecular formula C9H13ClN3O2+ and a molecular weight of 230.68 g/mol. Its IUPAC name is 2-[(3-amino-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[(3-amino-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol;hydrochloride
PubChem CID139595213
Molecular FormulaC9H13ClN3O2+
Molecular Weight230.68 g/mol
Exact Mass230.07
IUPAC Name2-[(3-amino-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol;hydrochloride
SMILESCl.Nc1c(OCCO)[nH][n+]2ccccc12
InChIInChI=1S/C9H11N3O2.ClH/c10-8-7-3-1-2-4-12(7)11-9(8)14-6-5-13;/h1-4,13H,5-6,10H2;1H/p+1
InChIKeyHFFCVKYVJNYQLA-UHFFFAOYSA-O
XLogP0.13
TPSA75.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.68
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-amino-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol;hydrochloride 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-amino-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol;hydrochloride?
The IUPAC name of 2-[(3-amino-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol;hydrochloride (CID 139595213) is 2-[(3-amino-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol;hydrochloride.
What is the SMILES notation for 2-[(3-amino-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol;hydrochloride?
The canonical SMILES for 2-[(3-amino-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol;hydrochloride is Cl.Nc1c(OCCO)[nH][n+]2ccccc12.
What is the InChIKey of 2-[(3-amino-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol;hydrochloride?
The InChIKey is HFFCVKYVJNYQLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H11N3O2.ClH/c10-8-7-3-1-2-4-12(7)11-9(8)14-6-5-13;/h1-4,13H,5-6,10H2;1H/p+1.
What are the key properties of 2-[(3-amino-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol;hydrochloride?
2-[(3-amino-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol;hydrochloride has a molecular weight of 230.68 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1H-pyrazolo[1,5-a]pyridin-8-ium-2-yl)oxy]ethanol;hydrochloride is sourced from PubChem (CID 139595213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).