6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one

C18H12F3N3O2 — CID 11639055

IUPAC6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one
SMILESNc1c(F)cc(-n2c(N)c(C(=O)c3ccc(F)cc3)ccc2=O)cc1F
InChIInChI=1S/C18H12F3N3O2/c19-10-3-1-9(2-4-10)17(26)12-5-6-15(25)24(18(12)23)11-7-13(20)16(22)14(21)8-11/h1-8H,22-23H2
InChIKeyIBIOYYHGSIQKBW-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.65
Rot. Bonds3

About 6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one

6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one (PubChem CID 11639055) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one.

Molecular Properties

Compound Name6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one
PubChem CID11639055
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one
SMILESNc1c(F)cc(-n2c(N)c(C(=O)c3ccc(F)cc3)ccc2=O)cc1F
InChIInChI=1S/C18H12F3N3O2/c19-10-3-1-9(2-4-10)17(26)12-5-6-15(25)24(18(12)23)11-7-13(20)16(22)14(21)8-11/h1-8H,22-23H2
InChIKeyIBIOYYHGSIQKBW-UHFFFAOYSA-N
XLogP2.65
TPSA91.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one?
The IUPAC name of 6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one (CID 11639055) is 6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one.
What is the SMILES notation for 6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one?
The canonical SMILES for 6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one is Nc1c(F)cc(-n2c(N)c(C(=O)c3ccc(F)cc3)ccc2=O)cc1F.
What is the InChIKey of 6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one?
The InChIKey is IBIOYYHGSIQKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c19-10-3-1-9(2-4-10)17(26)12-5-6-15(25)24(18(12)23)11-7-13(20)16(22)14(21)8-11/h1-8H,22-23H2.
What are the key properties of 6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one?
6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one has a molecular weight of 359.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-amino-3,5-difluorophenyl)-5-(4-fluorobenzoyl)pyridin-2-one is sourced from PubChem (CID 11639055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).