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

C17H6Cl6FN — CID 133090114

IUPAC4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine
SMILESFc1cc(-c2ccc(Cl)c(Cl)c2Cl)ncc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C17H6Cl6FN/c18-10-3-1-7(14(20)16(10)22)9-6-25-13(5-12(9)24)8-2-4-11(19)17(23)15(8)21/h1-6H
InChIKeyZDRBRMSUFBGIDO-UHFFFAOYSA-N
MW455.96 g/mol
LogP8.48
Rot. Bonds2

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

4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine (PubChem CID 133090114) has the molecular formula C17H6Cl6FN and a molecular weight of 455.96 g/mol. Its IUPAC name is 4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine.

Molecular Properties

Compound Name4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine
PubChem CID133090114
Molecular FormulaC17H6Cl6FN
Molecular Weight455.96 g/mol
Exact Mass452.86
IUPAC Name4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine
SMILESFc1cc(-c2ccc(Cl)c(Cl)c2Cl)ncc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C17H6Cl6FN/c18-10-3-1-7(14(20)16(10)22)9-6-25-13(5-12(9)24)8-2-4-11(19)17(23)15(8)21/h1-6H
InChIKeyZDRBRMSUFBGIDO-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_2', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-4-(2,3,4-trichlorophenyl)pyridin-3-ol
CID 133092229
2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134636100
5-fluoro-3-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 133090311
2-fluoro-6-(2,3,4-trichlorophenyl)pyridine
CID 133090349
3-chloro-5-fluoro-4-(2,3,4-trichlorophenyl)pyridine
CID 133090143
1,2,3-trichloro-4-[4-(difluoromethoxy)-2-fluorophenyl]benzene
CID 118812520
1,2,3-trichloro-4-[2-(difluoromethyl)-4-fluorophenyl]benzene
CID 118854340
3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile
CID 134623859
1-fluoro-4-(2,3,4-trichlorophenyl)naphthalene
CID 118847360
2-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carboxylic acid
CID 119011318
2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine
CID 118847434
5,6-bis(2,3,4-trichlorophenyl)pyridin-3-amine
CID 134629217

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine?
The IUPAC name of 4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine (CID 133090114) is 4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine.
What is the SMILES notation for 4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine?
The canonical SMILES for 4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine is Fc1cc(-c2ccc(Cl)c(Cl)c2Cl)ncc1-c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine?
The InChIKey is ZDRBRMSUFBGIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H6Cl6FN/c18-10-3-1-7(14(20)16(10)22)9-6-25-13(5-12(9)24)8-2-4-11(19)17(23)15(8)21/h1-6H.
What are the key properties of 4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine?
4-fluoro-2,5-bis(2,3,4-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 4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine is sourced from PubChem (CID 133090114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).