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

C11H9N3O2 — CID 53484026

IUPAC2-[(E)-hydroxyiminomethyl]-6-pyridin-2-yl-1H-pyridin-4-one
SMILESO=c1cc(/C=N/O)[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)/b13-7+
InChIKeyXLFYSDMKBLTHTJ-NTUHNPAUSA-N
MW215.21 g/mol
LogP1.25
Rot. Bonds2

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

2-[(E)-hydroxyiminomethyl]-6-pyridin-2-yl-1H-pyridin-4-one (PubChem CID 53484026) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[(E)-hydroxyiminomethyl]-6-pyridin-2-yl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(E)-hydroxyiminomethyl]-6-pyridin-2-yl-1H-pyridin-4-one
PubChem CID53484026
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name2-[(E)-hydroxyiminomethyl]-6-pyridin-2-yl-1H-pyridin-4-one
SMILESO=c1cc(/C=N/O)[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)/b13-7+
InChIKeyXLFYSDMKBLTHTJ-NTUHNPAUSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-hydroxyiminomethyl]-6-pyridin-2-yl-1H-pyridin-4-one?
The IUPAC name of 2-[(E)-hydroxyiminomethyl]-6-pyridin-2-yl-1H-pyridin-4-one (CID 53484026) is 2-[(E)-hydroxyiminomethyl]-6-pyridin-2-yl-1H-pyridin-4-one.
What is the SMILES notation for 2-[(E)-hydroxyiminomethyl]-6-pyridin-2-yl-1H-pyridin-4-one?
The canonical SMILES for 2-[(E)-hydroxyiminomethyl]-6-pyridin-2-yl-1H-pyridin-4-one is O=c1cc(/C=N/O)[nH]c(-c2ccccn2)c1.
What is the InChIKey of 2-[(E)-hydroxyiminomethyl]-6-pyridin-2-yl-1H-pyridin-4-one?
The InChIKey is XLFYSDMKBLTHTJ-NTUHNPAUSA-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)/b13-7+.
What are the key properties of 2-[(E)-hydroxyiminomethyl]-6-pyridin-2-yl-1H-pyridin-4-one?
2-[(E)-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-[(E)-hydroxyiminomethyl]-6-pyridin-2-yl-1H-pyridin-4-one is sourced from PubChem (CID 53484026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).