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

C12H4Cl3F3IN — CID 134636359

IUPAC3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1nc(-c2c(Cl)cc(Cl)cc2Cl)ccc1I
InChIInChI=1S/C12H4Cl3F3IN/c13-5-3-6(14)10(7(15)4-5)9-2-1-8(19)11(20-9)12(16,17)18/h1-4H
InChIKeyCPDPSERZSUQROK-UHFFFAOYSA-N
MW452.43 g/mol
LogP6.33
Rot. Bonds1

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

3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine (PubChem CID 134636359) has the molecular formula C12H4Cl3F3IN and a molecular weight of 452.43 g/mol. Its IUPAC name is 3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
PubChem CID134636359
Molecular FormulaC12H4Cl3F3IN
Molecular Weight452.43 g/mol
Exact Mass450.84
IUPAC Name3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1nc(-c2c(Cl)cc(Cl)cc2Cl)ccc1I
InChIInChI=1S/C12H4Cl3F3IN/c13-5-3-6(14)10(7(15)4-5)9-2-1-8(19)11(20-9)12(16,17)18/h1-4H
InChIKeyCPDPSERZSUQROK-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-iodo-6-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134626981
2-[6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 134636914
2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134635943
4-chloro-2-(2,4,6-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 118839102
2-iodo-6-(2,4,6-trichlorophenyl)pyridine
CID 134636340
4-iodo-2-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134636380
6-(fluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
CID 130952875
3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
CID 133090327
2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 133090273
5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130851869
5-fluoro-2-(2,4,6-trichlorophenyl)pyridine
CID 133090364
2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid
CID 133090291

Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine (CID 134636359) is 3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1nc(-c2c(Cl)cc(Cl)cc2Cl)ccc1I.
What is the InChIKey of 3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The InChIKey is CPDPSERZSUQROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl3F3IN/c13-5-3-6(14)10(7(15)4-5)9-2-1-8(19)11(20-9)12(16,17)18/h1-4H.
What are the key properties of 3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine?
3-iodo-6-(2,4,6-trichlorophenyl)-2-(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 3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134636359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).