1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one

C19H10F4N2O3 — CID 140546313

IUPAC1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one
SMILESO=C(C(=NO)c1ccc(F)cc1F)c1ccc(=O)n(-c2c(F)cccc2F)c1
InChIInChI=1S/C19H10F4N2O3/c20-11-5-6-12(15(23)8-11)17(24-28)19(27)10-4-7-16(26)25(9-10)18-13(21)2-1-3-14(18)22/h1-9,28H
InChIKeyJUWJOSWFJAHQDU-UHFFFAOYSA-N
MW390.29 g/mol
LogP3.46
Rot. Bonds4

About 1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one

1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one (PubChem CID 140546313) has the molecular formula C19H10F4N2O3 and a molecular weight of 390.29 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one
PubChem CID140546313
Molecular FormulaC19H10F4N2O3
Molecular Weight390.29 g/mol
Exact Mass390.06
IUPAC Name1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one
SMILESO=C(C(=NO)c1ccc(F)cc1F)c1ccc(=O)n(-c2c(F)cccc2F)c1
InChIInChI=1S/C19H10F4N2O3/c20-11-5-6-12(15(23)8-11)17(24-28)19(27)10-4-7-16(26)25(9-10)18-13(21)2-1-3-14(18)22/h1-9,28H
InChIKeyJUWJOSWFJAHQDU-UHFFFAOYSA-N
XLogP3.46
TPSA71.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

5-[(E)-C-(2,4-difluorophenyl)-N-hydroxycarbonimidoyl]-1-(2,6-dimethylphenyl)pyridin-2-one
CID 87741851
5-[2-amino-2-(2,4-difluorophenyl)acetyl]-1-(2,6-difluorophenyl)pyridin-2-one
CID 67253562
(1Z)-1-(2,4-difluorophenyl)-1-hydroxyiminopropan-2-one
CID 86591919
2-[(E)-[[1-(2,6-dichlorophenyl)-6-oxo-3-pyridinyl]-(2,4-difluorophenyl)methylidene]amino]oxyacetamide
CID 87740071
1-(2,6-dichlorophenyl)-5-(4-fluoro-2-methylbenzoyl)pyridin-2-one
CID 69242900
methyl 3,5-dichloro-4-[5-(2,4-difluorobenzoyl)-2-oxo-1-pyridinyl]benzoate
CID 69225944
1-(2,6-dichlorophenyl)-5-[(Z)-C-(2,4-difluorophenyl)-N-phenylmethoxycarbonimidoyl]pyridin-2-one
CID 87741793
5-[N-(1-acetylpiperidin-4-yl)oxy-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one
CID 91580154
1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-4-yloxycarbonimidoyl]pyridin-2-one
CID 74337376
5-[(E)-N-[(6-amino-2-pyridinyl)methoxy]-C-(2,4-difluorophenyl)carbonimidoyl]-1-(2,6-dichlorophenyl)pyridin-2-one
CID 87741954
1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-[(3S)-piperidin-3-yl]oxycarbonimidoyl]pyridin-2-one
CID 87740497
1-(2,6-dichlorophenyl)-5-[C-(2,4-difluorophenyl)-N-piperidin-3-yloxycarbonimidoyl]pyridin-2-one
CID 173149541

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one (CID 140546313) is 1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one is O=C(C(=NO)c1ccc(F)cc1F)c1ccc(=O)n(-c2c(F)cccc2F)c1.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one?
The InChIKey is JUWJOSWFJAHQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N2O3/c20-11-5-6-12(15(23)8-11)17(24-28)19(27)10-4-7-16(26)25(9-10)18-13(21)2-1-3-14(18)22/h1-9,28H.
What are the key properties of 1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one?
1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one has a molecular weight of 390.29 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-[2-(2,4-difluorophenyl)-2-hydroxyiminoacetyl]pyridin-2-one is sourced from PubChem (CID 140546313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).