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

C12H4Cl3F4N — CID 133088846

IUPAC2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
SMILESFc1nccc(-c2cc(Cl)c(Cl)cc2Cl)c1C(F)(F)F
InChIInChI=1S/C12H4Cl3F4N/c13-7-4-9(15)8(14)3-6(7)5-1-2-20-11(16)10(5)12(17,18)19/h1-4H
InChIKeyCKMWWIUZLSXIFB-UHFFFAOYSA-N
MW344.52 g/mol
LogP5.87
Rot. Bonds1

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

2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine (PubChem CID 133088846) has the molecular formula C12H4Cl3F4N and a molecular weight of 344.52 g/mol. Its IUPAC name is 2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
PubChem CID133088846
Molecular FormulaC12H4Cl3F4N
Molecular Weight344.52 g/mol
Exact Mass342.93
IUPAC Name2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
SMILESFc1nccc(-c2cc(Cl)c(Cl)cc2Cl)c1C(F)(F)F
InChIInChI=1S/C12H4Cl3F4N/c13-7-4-9(15)8(14)3-6(7)5-1-2-20-11(16)10(5)12(17,18)19/h1-4H
InChIKeyCKMWWIUZLSXIFB-UHFFFAOYSA-N
XLogP5.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.52
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118990546
2-fluoro-4-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134637677
2-fluoro-3-(2,4,5-trichlorophenyl)pyridine
CID 133088815
2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
CID 133089826
4-(chloromethyl)-2-fluoro-3-(trifluoromethyl)pyridine
CID 118704205
4-bromo-2-fluoro-3-(trifluoromethyl)pyridine
CID 56604237
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118847520
3-chloro-4-(3,4-dichlorophenyl)-2-fluoropyridine
CID 133091044
2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 133093930
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-4-one
CID 133091420
2-[2-(2,4,5-trichlorophenyl)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118819376
5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine
CID 133088609

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine (CID 133088846) is 2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine is Fc1nccc(-c2cc(Cl)c(Cl)cc2Cl)c1C(F)(F)F.
What is the InChIKey of 2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The InChIKey is CKMWWIUZLSXIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl3F4N/c13-7-4-9(15)8(14)3-6(7)5-1-2-20-11(16)10(5)12(17,18)19/h1-4H.
What are the key properties of 2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine?
2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine has a molecular weight of 344.52 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 133088846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).