5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one

C11H5Cl3FNO — CID 133092539

IUPAC5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)cc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C11H5Cl3FNO/c12-7-1-2-8(13)10(14)9(7)6-3-5(15)4-16-11(6)17/h1-4H,(H,16,17)
InChIKeySOMJKJPTRLAETH-UHFFFAOYSA-N
MW292.52 g/mol
LogP4.14
Rot. Bonds1

About 5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one

5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one (PubChem CID 133092539) has the molecular formula C11H5Cl3FNO and a molecular weight of 292.52 g/mol. Its IUPAC name is 5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
PubChem CID133092539
Molecular FormulaC11H5Cl3FNO
Molecular Weight292.52 g/mol
Exact Mass290.94
IUPAC Name5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(F)cc1-c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C11H5Cl3FNO/c12-7-1-2-8(13)10(14)9(7)6-3-5(15)4-16-11(6)17/h1-4H,(H,16,17)
InChIKeySOMJKJPTRLAETH-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

3-(2,6-dichlorophenyl)-5-fluoro-1H-pyridin-2-one
CID 133092688
5-(hydroxymethyl)-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092649
5-chloro-4-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092530
3,5-bis(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-2-one
CID 133092089
5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637089
5-chloro-3-(4-fluorophenyl)-1H-pyridin-2-one
CID 46311954
5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-3-carbaldehyde
CID 133092724
5-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092614
5-fluoro-4-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-2-one
CID 133092111
3,5-bis(2,3-dichlorophenyl)-1H-pyridin-2-one
CID 133092457
6-methyl-2-oxo-4-(2,3,6-trichlorophenyl)-1H-pyridine-3-carbonitrile
CID 168586700
3-(2,3,6-trichlorophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 133091817

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one?
The IUPAC name of 5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one (CID 133092539) is 5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one is O=c1[nH]cc(F)cc1-c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of 5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one?
The InChIKey is SOMJKJPTRLAETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3FNO/c12-7-1-2-8(13)10(14)9(7)6-3-5(15)4-16-11(6)17/h1-4H,(H,16,17).
What are the key properties of 5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one?
5-fluoro-3-(2,3,6-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 5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one is sourced from PubChem (CID 133092539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).