5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine

C17H6Cl6FN — CID 133088609

IUPAC5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine
SMILESFc1cnc(-c2cc(Cl)c(Cl)cc2Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C17H6Cl6FN/c18-11-4-15(22)13(20)2-8(11)9-1-7(24)6-25-17(9)10-3-14(21)16(23)5-12(10)19/h1-6H
InChIKeyGJLKITYUFXBLFA-UHFFFAOYSA-N
MW455.96 g/mol
LogP8.48
Rot. Bonds2

About 5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine

5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine (PubChem CID 133088609) has the molecular formula C17H6Cl6FN and a molecular weight of 455.96 g/mol. Its IUPAC name is 5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine
PubChem CID133088609
Molecular FormulaC17H6Cl6FN
Molecular Weight455.96 g/mol
Exact Mass452.86
IUPAC Name5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine
SMILESFc1cnc(-c2cc(Cl)c(Cl)cc2Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C17H6Cl6FN/c18-11-4-15(22)13(20)2-8(11)9-1-7(24)6-25-17(9)10-3-14(21)16(23)5-12(10)19/h1-6H
InChIKeyGJLKITYUFXBLFA-UHFFFAOYSA-N
XLogP8.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.96
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[5-fluoro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133093945
5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637089
5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine
CID 134629812
3-(2,4-dichlorophenyl)-2,5-difluoropyridine
CID 133090808
2,4,5-tris(2,4,5-trichlorophenyl)pyridine
CID 134637766
N-[[2-chloro-5-(3-chloro-5-fluoro-2-pyridinyl)-4-fluorophenyl]methylidene]hydroxylamine
CID 163378684
2-fluoro-3-(2,4,5-trichlorophenyl)pyridine
CID 133088815
2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 133088846
2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid
CID 118824902
1-[2-(bromomethyl)-5-fluorophenyl]-2,4,5-trichlorobenzene
CID 134619464
2-(2,3-dichlorophenyl)-5-fluoropyridin-3-amine
CID 130088674
2-chloro-4-iodo-5-(2,4,5-trichlorophenyl)pyridine
CID 119013818

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine?
The IUPAC name of 5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine (CID 133088609) is 5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine.
What is the SMILES notation for 5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine?
The canonical SMILES for 5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine is Fc1cnc(-c2cc(Cl)c(Cl)cc2Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine?
The InChIKey is GJLKITYUFXBLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H6Cl6FN/c18-11-4-15(22)13(20)2-8(11)9-1-7(24)6-25-17(9)10-3-14(21)16(23)5-12(10)19/h1-6H.
What are the key properties of 5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine?
5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine has a molecular weight of 455.96 g/mol, XLogP of 8.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine is sourced from PubChem (CID 133088609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).