N-(2-hydroxyiminoethylidene)hydroxylamine;pyridine

C7H9N3O2 — CID 173419384

IUPACN-(2-hydroxyiminoethylidene)hydroxylamine;pyridine
SMILESON=CC=NO.c1ccncc1
InChIInChI=1S/C5H5N.C2H4N2O2/c1-2-4-6-5-3-1;5-3-1-2-4-6/h1-5H;1-2,5-6H
InChIKeyBNEWRABAYPYHEF-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.99
Rot. Bonds1

About N-(2-hydroxyiminoethylidene)hydroxylamine;pyridine

N-(2-hydroxyiminoethylidene)hydroxylamine;pyridine (PubChem CID 173419384) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N-(2-hydroxyiminoethylidene)hydroxylamine;pyridine.

Molecular Properties

Compound NameN-(2-hydroxyiminoethylidene)hydroxylamine;pyridine
PubChem CID173419384
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN-(2-hydroxyiminoethylidene)hydroxylamine;pyridine
SMILESON=CC=NO.c1ccncc1
InChIInChI=1S/C5H5N.C2H4N2O2/c1-2-4-6-5-3-1;5-3-1-2-4-6/h1-5H;1-2,5-6H
InChIKeyBNEWRABAYPYHEF-UHFFFAOYSA-N
XLogP0.99
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-(2-hydroxyiminoethylidene)hydroxylamine;pyridine with MolForge

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

Launch Full Analysis

Related Compounds

1,5-diazecine
CID 53440348
pyridine
CID 67755510
pyridine
CID 160878650
arsinous acid;pyridine
CID 174645427
tetrakis(pyridine);silicic acid
CID 172745480
pyridine;titanium
CID 87570870
cobalt(2+);bis(pyridine)
CID 71357223
pyrazine;bis(pyridine)
CID 159366306
cadmium(2+);pyridine;chloride
CID 21144711
bis(pyridine);hydrochloride
CID 68793121
CID 70045472
CID 70045472
chromium;bis(pyridine)
CID 14201778

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyiminoethylidene)hydroxylamine;pyridine?
The IUPAC name of N-(2-hydroxyiminoethylidene)hydroxylamine;pyridine (CID 173419384) is N-(2-hydroxyiminoethylidene)hydroxylamine;pyridine.
What is the SMILES notation for N-(2-hydroxyiminoethylidene)hydroxylamine;pyridine?
The canonical SMILES for N-(2-hydroxyiminoethylidene)hydroxylamine;pyridine is ON=CC=NO.c1ccncc1.
What is the InChIKey of N-(2-hydroxyiminoethylidene)hydroxylamine;pyridine?
The InChIKey is BNEWRABAYPYHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C2H4N2O2/c1-2-4-6-5-3-1;5-3-1-2-4-6/h1-5H;1-2,5-6H.
What are the key properties of N-(2-hydroxyiminoethylidene)hydroxylamine;pyridine?
N-(2-hydroxyiminoethylidene)hydroxylamine;pyridine has a molecular weight of 167.17 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyiminoethylidene)hydroxylamine;pyridine is sourced from PubChem (CID 173419384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).