2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone

C13H8F2N2O2 — CID 86209381

IUPAC2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone
SMILESO=C(C(=NO)c1ccc(F)cc1)c1ccnc(F)c1
InChIInChI=1S/C13H8F2N2O2/c14-10-3-1-8(2-4-10)12(17-19)13(18)9-5-6-16-11(15)7-9/h1-7,19H
InChIKeyXKWRUYWDTKVIFC-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.42
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone

2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone (PubChem CID 86209381) has the molecular formula C13H8F2N2O2 and a molecular weight of 262.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone
PubChem CID86209381
Molecular FormulaC13H8F2N2O2
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone
SMILESO=C(C(=NO)c1ccc(F)cc1)c1ccnc(F)c1
InChIInChI=1S/C13H8F2N2O2/c14-10-3-1-8(2-4-10)12(17-19)13(18)9-5-6-16-11(15)7-9/h1-7,19H
InChIKeyXKWRUYWDTKVIFC-UHFFFAOYSA-N
XLogP2.42
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone (CID 86209381) is 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone is O=C(C(=NO)c1ccc(F)cc1)c1ccnc(F)c1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone?
The InChIKey is XKWRUYWDTKVIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O2/c14-10-3-1-8(2-4-10)12(17-19)13(18)9-5-6-16-11(15)7-9/h1-7,19H.
What are the key properties of 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone?
2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone has a molecular weight of 262.22 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone is sourced from PubChem (CID 86209381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).