3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one

C11H3Cl5FNO — CID 133092108

IUPAC3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]cc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H3Cl5FNO/c12-6-5(3-1-18-2-4(17)11(3)19)7(13)9(15)10(16)8(6)14/h1-2H,(H,18,19)
InChIKeySTGPPCMQILZIBK-UHFFFAOYSA-N
MW361.41 g/mol
LogP5.45
Rot. Bonds1

About 3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one

3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one (PubChem CID 133092108) has the molecular formula C11H3Cl5FNO and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one
PubChem CID133092108
Molecular FormulaC11H3Cl5FNO
Molecular Weight361.41 g/mol
Exact Mass358.86
IUPAC Name3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one
SMILESO=c1c(F)c[nH]cc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C11H3Cl5FNO/c12-6-5(3-1-18-2-4(17)11(3)19)7(13)9(15)10(16)8(6)14/h1-2H,(H,18,19)
InChIKeySTGPPCMQILZIBK-UHFFFAOYSA-N
XLogP5.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.41
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(2,3,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118804804
3-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118804928
3-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)-1H-pyridin-4-one
CID 118844206
3-(3,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
CID 130088618
3-(2,3-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
CID 130088679
3-(2,4-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
CID 130088712
3-(2,5-dichlorophenyl)-5-fluoro-1H-pyridin-4-one
CID 130088750
3-fluoro-5-(2,4,5-trichlorophenyl)-1H-pyridin-4-one
CID 133091301
3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-2-one
CID 133092107
5-fluoro-3-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-2-one
CID 133092110
3-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 133092173
3-fluoro-5-(2,3,4-trichlorophenyl)-1H-pyridin-4-one
CID 133092241

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one?
The IUPAC name of 3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one (CID 133092108) is 3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one?
The canonical SMILES for 3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one is O=c1c(F)c[nH]cc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one?
The InChIKey is STGPPCMQILZIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3Cl5FNO/c12-6-5(3-1-18-2-4(17)11(3)19)7(13)9(15)10(16)8(6)14/h1-2H,(H,18,19).
What are the key properties of 3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one?
3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one has a molecular weight of 361.41 g/mol, XLogP of 5.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-4-one is sourced from PubChem (CID 133092108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).