5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine

C17H6Cl6FN — CID 134637089

IUPAC5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
SMILESFc1cnc(-c2c(Cl)ccc(Cl)c2Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C17H6Cl6FN/c18-9-1-3-11(20)15(22)13(9)8-5-7(24)6-25-17(8)14-10(19)2-4-12(21)16(14)23/h1-6H
InChIKeySUBGAXWLSNMVIA-UHFFFAOYSA-N
MW455.96 g/mol
LogP8.48
Rot. Bonds2

About 5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine

5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine (PubChem CID 134637089) has the molecular formula C17H6Cl6FN and a molecular weight of 455.96 g/mol. Its IUPAC name is 5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine.

Molecular Properties

Compound Name5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
PubChem CID134637089
Molecular FormulaC17H6Cl6FN
Molecular Weight455.96 g/mol
Exact Mass452.86
IUPAC Name5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine
SMILESFc1cnc(-c2c(Cl)ccc(Cl)c2Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1
InChIInChI=1S/C17H6Cl6FN/c18-9-1-3-11(20)15(22)13(9)8-5-7(24)6-25-17(8)14-10(19)2-4-12(21)16(14)23/h1-6H
InChIKeySUBGAXWLSNMVIA-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

5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637033
[5,6-bis(2,3,6-trichlorophenyl)-3-pyridinyl]methanol
CID 134637224
methyl 5-fluoro-2-(2,3,6-trichlorophenyl)pyridine-3-carboxylate
CID 133090466
5-chloro-6-(2,3,6-trichlorophenyl)pyridin-3-ol
CID 133092526
2-(2,3-dichlorophenyl)-5-fluoropyridin-3-amine
CID 130088674
5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine
CID 133088609
3-(2,3-dichlorophenyl)-2,5-difluoropyridine
CID 133090714
5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 133090311
2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol
CID 133092660
5-fluoro-3-(2,3,6-trichlorophenyl)-1H-pyridin-2-one
CID 133092539
4-fluoro-3-(2,3,6-trichlorophenyl)pyridine
CID 134637571
3,5-bis(2,3,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637276

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine?
The IUPAC name of 5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine (CID 134637089) is 5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine.
What is the SMILES notation for 5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine?
The canonical SMILES for 5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine is Fc1cnc(-c2c(Cl)ccc(Cl)c2Cl)c(-c2c(Cl)ccc(Cl)c2Cl)c1.
What is the InChIKey of 5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine?
The InChIKey is SUBGAXWLSNMVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H6Cl6FN/c18-9-1-3-11(20)15(22)13(9)8-5-7(24)6-25-17(8)14-10(19)2-4-12(21)16(14)23/h1-6H.
What are the key properties of 5-fluoro-2,3-bis(2,3,6-trichlorophenyl)pyridine?
5-fluoro-2,3-bis(2,3,6-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(2,3,6-trichlorophenyl)pyridine is sourced from PubChem (CID 134637089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).