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

C12H4Cl3F3IN — CID 134637890

IUPAC3-iodo-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(-c2ccc(Cl)c(Cl)c2Cl)c1I
InChIInChI=1S/C12H4Cl3F3IN/c13-7-2-1-5(8(14)9(7)15)11-10(19)6(3-4-20-11)12(16,17)18/h1-4H
InChIKeyFUFJLEISVACXBS-UHFFFAOYSA-N
MW452.43 g/mol
LogP6.33
Rot. Bonds1

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

3-iodo-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine (PubChem CID 134637890) has the molecular formula C12H4Cl3F3IN and a molecular weight of 452.43 g/mol. Its IUPAC name is 3-iodo-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-iodo-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine
PubChem CID134637890
Molecular FormulaC12H4Cl3F3IN
Molecular Weight452.43 g/mol
Exact Mass450.84
IUPAC Name3-iodo-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccnc(-c2ccc(Cl)c(Cl)c2Cl)c1I
InChIInChI=1S/C12H4Cl3F3IN/c13-7-2-1-5(8(14)9(7)15)11-10(19)6(3-4-20-11)12(16,17)18/h1-4H
InChIKeyFUFJLEISVACXBS-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_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118824848
3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134636130
3-iodo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine
CID 134626969
2-(2,3-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118830530
2-methoxy-4-(2,3,4-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134636496
2-(2,3-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 170837705
3-chloro-2-(2,3,4-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134636029
3-chloro-2-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)pyridine
CID 134636127
2-(2,3,4-trichlorophenyl)pyridin-3-ol
CID 133092358
2,3-dichloro-4-(trifluoromethyl)pyridine
CID 15132714
2-iodo-3-(2,3,4,5,6-pentachlorophenyl)-4-(trifluoromethyl)pyridine
CID 134620489
2-(2,4-dichlorophenyl)-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118802456

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-iodo-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine (CID 134637890) is 3-iodo-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-iodo-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-iodo-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine is FC(F)(F)c1ccnc(-c2ccc(Cl)c(Cl)c2Cl)c1I.
What is the InChIKey of 3-iodo-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine?
The InChIKey is FUFJLEISVACXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl3F3IN/c13-7-2-1-5(8(14)9(7)15)11-10(19)6(3-4-20-11)12(16,17)18/h1-4H.
What are the key properties of 3-iodo-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine?
3-iodo-2-(2,3,4-trichlorophenyl)-4-(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-2-(2,3,4-trichlorophenyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 134637890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).