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

C13H8F2N2O2 — CID 135442250

IUPAC(2E)-1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone
SMILESO=C(/C(=N/O)c1ccnc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C13H8F2N2O2/c14-10-3-1-8(2-4-10)13(18)12(17-19)9-5-6-16-11(15)7-9/h1-7,19H/b17-12+
InChIKeyHFWSDQSXLCKEFF-SFQUDFHCSA-N
MW262.22 g/mol
LogP2.42
Rot. Bonds3

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

(2E)-1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone (PubChem CID 135442250) has the molecular formula C13H8F2N2O2 and a molecular weight of 262.22 g/mol. Its IUPAC name is (2E)-1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone.

Molecular Properties

Compound Name(2E)-1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone
PubChem CID135442250
Molecular FormulaC13H8F2N2O2
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name(2E)-1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone
SMILESO=C(/C(=N/O)c1ccnc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C13H8F2N2O2/c14-10-3-1-8(2-4-10)13(18)12(17-19)9-5-6-16-11(15)7-9/h1-7,19H/b17-12+
InChIKeyHFWSDQSXLCKEFF-SFQUDFHCSA-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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Related Compounds

2-(4-fluorophenyl)-2-hydroxyimino-1-pyridin-4-ylethanone
CID 72819808
(2Z)-1-(4-fluorophenyl)-2-hydroxyimino-2-pyridin-4-ylethanone
CID 135741597
2-(2-fluoro-4-pyridinyl)-2-hydroxyimino-1-(6-methoxynaphthalen-2-yl)ethanone
CID 152758846
(2E)-1-(2-fluoro-4-pyridinyl)-2-hydroxyiminopropan-1-one
CID 143632843
tert-butyl N-[4-[(E)-C-(4-fluorobenzoyl)-N-hydroxycarbonimidoyl]-2-pyridinyl]-N-(3-methylbutan-2-yl)carbamate
CID 135620554
tert-butyl N-[4-[(E)-C-(4-fluorobenzoyl)-N-hydroxycarbonimidoyl]-2-pyridinyl]-N-(2-methylpropyl)carbamate
CID 135620553
2-fluoro-N'-hydroxypyridine-4-carboximidamide
CID 137242090
1-(2-fluoro-4-pyridinyl)-2-methylpropan-1-one
CID 89195096
tert-butyl N-[4-[(E)-C-(4-fluorobenzoyl)-N-hydroxycarbonimidoyl]-2-pyridinyl]-N-(oxan-4-yl)carbamate
CID 135620577
2-[(E)-C-(4-fluorophenyl)-N-hydroxycarbonimidoyl]pyridine-4-carboxylic acid
CID 137251931
2-(4-fluorophenyl)-1-(2-fluoro-4-pyridinyl)butane-1,3-dione
CID 59067792
(NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
CID 177490589

Frequently Asked Questions

What is the IUPAC name of (2E)-1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone?
The IUPAC name of (2E)-1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone (CID 135442250) is (2E)-1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone.
What is the SMILES notation for (2E)-1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone?
The canonical SMILES for (2E)-1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone is O=C(/C(=N/O)c1ccnc(F)c1)c1ccc(F)cc1.
What is the InChIKey of (2E)-1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone?
The InChIKey is HFWSDQSXLCKEFF-SFQUDFHCSA-N. The full InChI is InChI=1S/C13H8F2N2O2/c14-10-3-1-8(2-4-10)13(18)12(17-19)9-5-6-16-11(15)7-9/h1-7,19H/b17-12+.
What are the key properties of (2E)-1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone?
(2E)-1-(4-fluorophenyl)-2-(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 (2E)-1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)-2-hydroxyiminoethanone is sourced from PubChem (CID 135442250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).