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

C12H4Cl3F3IN — CID 134626981

IUPAC3-iodo-6-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1nc(-c2cc(Cl)c(Cl)cc2Cl)ccc1I
InChIInChI=1S/C12H4Cl3F3IN/c13-6-4-8(15)7(14)3-5(6)10-2-1-9(19)11(20-10)12(16,17)18/h1-4H
InChIKeyKEIADIPGWOHRBF-UHFFFAOYSA-N
MW452.43 g/mol
LogP6.33
Rot. Bonds1

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

3-iodo-6-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine (PubChem CID 134626981) has the molecular formula C12H4Cl3F3IN and a molecular weight of 452.43 g/mol. Its IUPAC name is 3-iodo-6-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-iodo-6-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
PubChem CID134626981
Molecular FormulaC12H4Cl3F3IN
Molecular Weight452.43 g/mol
Exact Mass450.84
IUPAC Name3-iodo-6-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1nc(-c2cc(Cl)c(Cl)cc2Cl)ccc1I
InChIInChI=1S/C12H4Cl3F3IN/c13-6-4-8(15)7(14)3-5(6)10-2-1-9(19)11(20-10)12(16,17)18/h1-4H
InChIKeyKEIADIPGWOHRBF-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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134636359
2,6-bis(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134618234
2-methyl-6-(2,4,5-trichlorophenyl)pyridin-3-amine
CID 133086502
6-(fluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
CID 130952875
3-(chloromethyl)-2-methyl-6-(2,4,5-trichlorophenyl)pyridine
CID 165352055
5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130851869
5-chloro-2-(2,4,5-trichlorophenyl)pyridine
CID 134629473
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
2-chloro-1-iodo-4-(trifluoromethyl)benzene
CID 2736612
[6-(2,4,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134630403
2-chloro-4-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 118990546
6-(2,4,5-trichlorophenyl)pyridine-2-carbonitrile
CID 134630402

Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-iodo-6-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine (CID 134626981) is 3-iodo-6-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-iodo-6-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-iodo-6-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1nc(-c2cc(Cl)c(Cl)cc2Cl)ccc1I.
What is the InChIKey of 3-iodo-6-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
The InChIKey is KEIADIPGWOHRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl3F3IN/c13-6-4-8(15)7(14)3-5(6)10-2-1-9(19)11(20-10)12(16,17)18/h1-4H.
What are the key properties of 3-iodo-6-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine?
3-iodo-6-(2,4,5-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-(2,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 134626981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).