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

C12H4Cl3F4N — CID 134637886

IUPAC4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
SMILESFc1ccnc(C(F)(F)F)c1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H4Cl3F4N/c13-6-3-5(4-7(14)10(6)15)9-8(16)1-2-20-11(9)12(17,18)19/h1-4H
InChIKeyGDCYDWLAGJIWTL-UHFFFAOYSA-N
MW344.52 g/mol
LogP5.87
Rot. Bonds1

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

4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine (PubChem CID 134637886) has the molecular formula C12H4Cl3F4N and a molecular weight of 344.52 g/mol. Its IUPAC name is 4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
PubChem CID134637886
Molecular FormulaC12H4Cl3F4N
Molecular Weight344.52 g/mol
Exact Mass342.93
IUPAC Name4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
SMILESFc1ccnc(C(F)(F)F)c1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H4Cl3F4N/c13-6-3-5(4-7(14)10(6)15)9-8(16)1-2-20-11(9)12(17,18)19/h1-4H
InChIKeyGDCYDWLAGJIWTL-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': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 118822370
3-fluoro-4-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine
CID 133090078
2,4-dimethyl-3-(3,4,5-trichlorophenyl)pyridine
CID 118991314
4-iodo-3-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine
CID 134628304
5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637957
3-bromo-4-fluoro-2-(trifluoromethyl)pyridine
CID 118704099
4-fluoro-2-(trifluoromethyl)pyridine-3-thiol
CID 131171284
3-iodo-4-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine
CID 134626966
3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636331
1,2,3-trichloro-5-[2-chloro-6-(trifluoromethyl)phenyl]benzene
CID 134622946
4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol
CID 133092449
3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134636130

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine (CID 134637886) is 4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine is Fc1ccnc(C(F)(F)F)c1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The InChIKey is GDCYDWLAGJIWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl3F4N/c13-6-3-5(4-7(14)10(6)15)9-8(16)1-2-20-11(9)12(17,18)19/h1-4H.
What are the key properties of 4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
4-fluoro-3-(3,4,5-trichlorophenyl)-2-(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 4-fluoro-3-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134637886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).