5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine

C11H4Cl4IN — CID 134629812

IUPAC5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine
SMILESClc1cnc(-c2cc(Cl)c(Cl)cc2Cl)c(I)c1
InChIInChI=1S/C11H4Cl4IN/c12-5-1-10(16)11(17-4-5)6-2-8(14)9(15)3-7(6)13/h1-4H
InChIKeyQGQUTUWRXBMTDD-UHFFFAOYSA-N
MW418.88 g/mol
LogP5.97
Rot. Bonds1

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

5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine (PubChem CID 134629812) has the molecular formula C11H4Cl4IN and a molecular weight of 418.88 g/mol. Its IUPAC name is 5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine
PubChem CID134629812
Molecular FormulaC11H4Cl4IN
Molecular Weight418.88 g/mol
Exact Mass416.81
IUPAC Name5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine
SMILESClc1cnc(-c2cc(Cl)c(Cl)cc2Cl)c(I)c1
InChIInChI=1S/C11H4Cl4IN/c12-5-1-10(16)11(17-4-5)6-2-8(14)9(15)3-7(6)13/h1-4H
InChIKeyQGQUTUWRXBMTDD-UHFFFAOYSA-N
XLogP5.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.88
LogP ≤ 55.97
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

5-chloro-2-(2,4-dichlorophenyl)-3-iodopyridine
CID 133088212
2-chloro-4-iodo-5-(2,4,5-trichlorophenyl)pyridine
CID 119013818
5-fluoro-2,3-bis(2,4,5-trichlorophenyl)pyridine
CID 133088609
5-chloro-2-(2,4,5-trichlorophenyl)pyridine
CID 134629473
2-(bromomethyl)-5-chloro-3-iodopyridine
CID 133059296
5-chloro-3-iodopyridine-2-carbaldehyde
CID 131589570
3-iodo-5-(2,4,5-trichlorophenyl)pyridine
CID 134637718
2,4,5-tris(2,4,5-trichlorophenyl)pyridine
CID 134637766
2-(2,4-dichlorophenyl)-3-iodopyridine
CID 118824901
2-(2,5-dichlorophenyl)-3-fluoro-5-iodopyridine
CID 118813724
3,5-dichloro-4-(2,4,5-trichlorophenyl)pyridine
CID 134623724
5-chloro-2,3-bis(2,3,6-trichlorophenyl)pyridine
CID 134637033

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine?
The IUPAC name of 5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine (CID 134629812) is 5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine.
What is the SMILES notation for 5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine?
The canonical SMILES for 5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine is Clc1cnc(-c2cc(Cl)c(Cl)cc2Cl)c(I)c1.
What is the InChIKey of 5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine?
The InChIKey is QGQUTUWRXBMTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl4IN/c12-5-1-10(16)11(17-4-5)6-2-8(14)9(15)3-7(6)13/h1-4H.
What are the key properties of 5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine?
5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine has a molecular weight of 418.88 g/mol, XLogP of 5.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-iodo-2-(2,4,5-trichlorophenyl)pyridine is sourced from PubChem (CID 134629812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).