3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine

C12H4Cl3F4N — CID 134636331

IUPAC3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
SMILESFc1ccc(C(F)(F)F)nc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H4Cl3F4N/c13-6-3-5(4-7(14)10(6)15)11-8(16)1-2-9(20-11)12(17,18)19/h1-4H
InChIKeyKXQPOBIIVPJUCZ-UHFFFAOYSA-N
MW344.52 g/mol
LogP5.87
Rot. Bonds1

About 3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine

3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine (PubChem CID 134636331) has the molecular formula C12H4Cl3F4N and a molecular weight of 344.52 g/mol. Its IUPAC name is 3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
PubChem CID134636331
Molecular FormulaC12H4Cl3F4N
Molecular Weight344.52 g/mol
Exact Mass342.93
IUPAC Name3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
SMILESFc1ccc(C(F)(F)F)nc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H4Cl3F4N/c13-6-3-5(4-7(14)10(6)15)11-8(16)1-2-9(20-11)12(17,18)19/h1-4H
InChIKeyKXQPOBIIVPJUCZ-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

2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118819430
2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118802662
2-(2,4-dichlorophenyl)-3-fluoro-6-(trifluoromethyl)pyridine
CID 118836217
2-(2,3,5-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
CID 134637270
5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637957
3-fluoro-2-pyridin-3-yl-6-(trifluoromethyl)pyridine
CID 46315838
2-(2,4,6-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
CID 134635776
methyl 5-fluoro-6-(3,4,5-trichlorophenyl)pyridine-2-carboxylate
CID 134636661
7-chloro-2-(trifluoromethyl)quinoline
CID 11031724
3-chloro-2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636029
methyl 3-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 134636767
2-(2,4-dichlorophenyl)-3-methoxy-6-(trifluoromethyl)pyridine
CID 118841877

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine (CID 134636331) is 3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine is Fc1ccc(C(F)(F)F)nc1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of 3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine?
The InChIKey is KXQPOBIIVPJUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl3F4N/c13-6-3-5(4-7(14)10(6)15)11-8(16)1-2-9(20-11)12(17,18)19/h1-4H.
What are the key properties of 3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine?
3-fluoro-2-(3,4,5-trichlorophenyl)-6-(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 3-fluoro-2-(3,4,5-trichlorophenyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 134636331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).