4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine

C12H4Cl3F3IN — CID 134636380

IUPAC4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1c(I)ccnc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H4Cl3F3IN/c13-5-3-6(14)9(7(15)4-5)11-10(12(16,17)18)8(19)1-2-20-11/h1-4H
InChIKeyGMKURHYPKNROFK-UHFFFAOYSA-N
MW452.43 g/mol
LogP6.33
Rot. Bonds1

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

4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine (PubChem CID 134636380) has the molecular formula C12H4Cl3F3IN and a molecular weight of 452.43 g/mol. Its IUPAC name is 4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
PubChem CID134636380
Molecular FormulaC12H4Cl3F3IN
Molecular Weight452.43 g/mol
Exact Mass450.84
IUPAC Name4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1c(I)ccnc1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H4Cl3F3IN/c13-5-3-6(14)9(7(15)4-5)11-10(12(16,17)18)8(19)1-2-20-11/h1-4H
InChIKeyGMKURHYPKNROFK-UHFFFAOYSA-N
XLogP6.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.43
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)pyridine
CID 134636127
2-fluoro-4-(2,3,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134637677
3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134636359
2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine
CID 134637480
4-iodo-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 118810553
2-[2-(2,6-dichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118802502
4-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridin-3-ol
CID 133092449
4-iodo-3-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine
CID 134628304
2-(2,3,6-trichlorophenyl)-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118819242
1,5-dichloro-3-[3,5-dichloro-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 10971996
2-(2,4,6-trichlorophenyl)-3,6-bis(trifluoromethyl)pyridine
CID 134635776
2-ethoxy-4-iodo-3-(trifluoromethyl)pyridine
CID 130784463

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine (CID 134636380) is 4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine is FC(F)(F)c1c(I)ccnc1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine?
The InChIKey is GMKURHYPKNROFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl3F3IN/c13-5-3-6(14)9(7(15)4-5)11-10(12(16,17)18)8(19)1-2-20-11/h1-4H.
What are the key properties of 4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine?
4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine has a molecular weight of 452.43 g/mol, XLogP of 6.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134636380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).