3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine

C13H6F6IN — CID 134626969

IUPAC3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2nccc(C(F)(F)F)c2I)cc1
InChIInChI=1S/C13H6F6IN/c14-12(15,16)8-3-1-7(2-4-8)11-10(20)9(5-6-21-11)13(17,18)19/h1-6H
InChIKeyTUROTZPKAVIPNU-UHFFFAOYSA-N
MW417.09 g/mol
LogP5.39
Rot. Bonds1

About 3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine

3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 134626969) has the molecular formula C13H6F6IN and a molecular weight of 417.09 g/mol. Its IUPAC name is 3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID134626969
Molecular FormulaC13H6F6IN
Molecular Weight417.09 g/mol
Exact Mass416.94
IUPAC Name3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2nccc(C(F)(F)F)c2I)cc1
InChIInChI=1S/C13H6F6IN/c14-12(15,16)8-3-1-7(2-4-8)11-10(20)9(5-6-21-11)13(17,18)19/h1-6H
InChIKeyTUROTZPKAVIPNU-UHFFFAOYSA-N
XLogP5.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.09
LogP ≤ 55.39
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

4-methoxy-3-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine
CID 134628418
3-iodo-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine
CID 134637890
[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine;hydrochloride
CID 154904675
2,4-bis[4-(trifluoromethyl)phenyl]pyridine
CID 134617794
2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine
CID 130096758
2,3-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134617538
2-[3-iodo-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 131498013
[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
CID 68758847
2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 15486309
2-(2-iodo-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 86615464
3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine
CID 174650636
4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine
CID 145238167

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine (CID 134626969) is 3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2nccc(C(F)(F)F)c2I)cc1.
What is the InChIKey of 3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is TUROTZPKAVIPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6IN/c14-12(15,16)8-3-1-7(2-4-8)11-10(20)9(5-6-21-11)13(17,18)19/h1-6H.
What are the key properties of 3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine?
3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 417.09 g/mol, XLogP of 5.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 134626969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).