2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one

C11H9N3O2 — CID 162921881

IUPAC2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one
SMILESO=c1cc(C=NO)[nH]c(-c2ccccn2)c1
InChIInChI=1S/C11H9N3O2/c15-9-5-8(7-13-16)14-11(6-9)10-3-1-2-4-12-10/h1-7,16H,(H,14,15)
InChIKeyXLFYSDMKBLTHTJ-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.25
Rot. Bonds2

About 2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one

2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one (PubChem CID 162921881) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one
PubChem CID162921881
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one
SMILESO=c1cc(C=NO)[nH]c(-c2ccccn2)c1
InChIInChI=1S/C11H9N3O2/c15-9-5-8(7-13-16)14-11(6-9)10-3-1-2-4-12-10/h1-7,16H,(H,14,15)
InChIKeyXLFYSDMKBLTHTJ-UHFFFAOYSA-N
XLogP1.25
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one 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

2,6-Bis(2-pyridyl)-4(1H)-pyridone
CID 619353
N-Phenyl-2-pyridinemethanamine
CID 78027
2-Pyridylamidoxime
CID 135445506
6-Methyl-2-(pyridin-2-yl)pyrimidin-4-ol
CID 135472985
(2-Aminoethyl)(pyridin-2-ylmethyl)amine
CID 12677274
Ethanol, 2-((2-pyridinylmethyl)amino)-
CID 81135
Caerulomycin H
CID 53484026
N-(pyridin-3-yl)prop-2-enamide
CID 43616243
Nsc65650
CID 248485
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
2,5-Bis[6-[ethyl(pyridin-2-ylmethyl)amino]hexylamino]cyclohexa-2,5-diene-1,4-dione
CID 23626288

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one?
The IUPAC name of 2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one (CID 162921881) is 2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one.
What is the SMILES notation for 2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one?
The canonical SMILES for 2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one is O=c1cc(C=NO)[nH]c(-c2ccccn2)c1.
What is the InChIKey of 2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one?
The InChIKey is XLFYSDMKBLTHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-9-5-8(7-13-16)14-11(6-9)10-3-1-2-4-12-10/h1-7,16H,(H,14,15).
What are the key properties of 2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one?
2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one has a molecular weight of 215.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyiminomethyl)-6-pyridin-2-yl-1H-pyridin-4-one is sourced from PubChem (CID 162921881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).