Pralidoxime

C7H9N2O+ — CID 135398747

IUPAC(NE)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine
SMILESC[N+]1=CC=CC=C1/C=N/O
InChIInChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1
InChIKeyJBKPUQTUERUYQE-UHFFFAOYSA-O
MW137.16 g/mol
LogP1.00
Rot. Bonds1

About Pralidoxime

Pralidoxime (PubChem CID 135398747) has the molecular formula C7H9N2O+ and a molecular weight of 137.16 g/mol. Its IUPAC name is (NE)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NamePralidoxime
PubChem CID135398747
Molecular FormulaC7H9N2O+
Molecular Weight137.16 g/mol
Exact Mass137.07
IUPAC Name(NE)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine
SMILESC[N+]1=CC=CC=C1/C=N/O
InChIInChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1
InChIKeyJBKPUQTUERUYQE-UHFFFAOYSA-O
XLogP1.00
TPSA36.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity125

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze Pralidoxime 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 Pralidoxime?
The IUPAC name of Pralidoxime (CID 135398747) is (NE)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for Pralidoxime?
The canonical SMILES for Pralidoxime is C[N+]1=CC=CC=C1/C=N/O.
What is the InChIKey of Pralidoxime?
The InChIKey is JBKPUQTUERUYQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1.
What are the key properties of Pralidoxime?
Pralidoxime has a molecular weight of 137.16 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Pralidoxime is sourced from PubChem (CID 135398747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).