3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one

C11H5Cl3FNO — CID 133091813

IUPAC3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2cc(Cl)cc(Cl)c2Cl)cc1F
InChIInChI=1S/C11H5Cl3FNO/c12-6-2-7(10(14)8(13)3-6)5-1-9(15)11(17)16-4-5/h1-4H,(H,16,17)
InChIKeyCHWOCMXZDMHCIM-UHFFFAOYSA-N
MW292.52 g/mol
LogP4.14
Rot. Bonds1

About 3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one

3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one (PubChem CID 133091813) has the molecular formula C11H5Cl3FNO and a molecular weight of 292.52 g/mol. Its IUPAC name is 3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one
PubChem CID133091813
Molecular FormulaC11H5Cl3FNO
Molecular Weight292.52 g/mol
Exact Mass290.94
IUPAC Name3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2cc(Cl)cc(Cl)c2Cl)cc1F
InChIInChI=1S/C11H5Cl3FNO/c12-6-2-7(10(14)8(13)3-6)5-1-9(15)11(17)16-4-5/h1-4H,(H,16,17)
InChIKeyCHWOCMXZDMHCIM-UHFFFAOYSA-N
XLogP4.14
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.52
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(3-Chloro-5-fluorophenyl)pyridin-2(1H)-one
CID 53217882
5-(3-Chloro-4-fluorophenyl)pyridin-2(1H)-one
CID 53217888
5-Fluoro-1-[(2,3,6-trichlorophenyl)methyl]pyridin-2-one
CID 84313999
4-(2,6-dichlorophenyl)-3-fluoro-1H-pyridin-2-one
CID 118801730
4-(2,4-dichlorophenyl)-3-fluoro-1H-pyridin-2-one
CID 118813024
4-(2,5-dichlorophenyl)-5-fluoro-1H-pyridin-2-one
CID 118813025
4-(3,5-dichlorophenyl)-3-fluoro-1H-pyridin-2-one
CID 118823789
5-(2-chloro-6-fluorophenyl)-1H-pyridin-2-one
CID 122200274
5-(2-chloro-4-fluorophenyl)-1H-pyridin-2-one
CID 122200275
5-(3-chloro-2-fluorophenyl)-1H-pyridin-2-one
CID 122200279
5-(5-chloro-2-fluorophenyl)-1H-pyridin-2-one
CID 122200280
5-(2-chloro-5-fluorophenyl)-1H-pyridin-2-one
CID 122200284

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one (CID 133091813) is 3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one is O=c1[nH]cc(-c2cc(Cl)cc(Cl)c2Cl)cc1F.
What is the InChIKey of 3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one?
The InChIKey is CHWOCMXZDMHCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3FNO/c12-6-2-7(10(14)8(13)3-6)5-1-9(15)11(17)16-4-5/h1-4H,(H,16,17).
What are the key properties of 3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one?
3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one has a molecular weight of 292.52 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2,3,5-trichlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 133091813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).