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

C17H6Cl6IN — CID 134637060

IUPAC4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine
SMILESClc1cc(Cl)c(Cl)c(-c2cc(I)c(-c3cc(Cl)cc(Cl)c3Cl)cn2)c1
InChIInChI=1S/C17H6Cl6IN/c18-7-1-9(16(22)12(20)3-7)11-6-25-15(5-14(11)24)10-2-8(19)4-13(21)17(10)23/h1-6H
InChIKeyVGWACNXIXMRCHK-UHFFFAOYSA-N
MW563.86 g/mol
LogP8.94
Rot. Bonds2

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

4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine (PubChem CID 134637060) has the molecular formula C17H6Cl6IN and a molecular weight of 563.86 g/mol. Its IUPAC name is 4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine.

Molecular Properties

Compound Name4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine
PubChem CID134637060
Molecular FormulaC17H6Cl6IN
Molecular Weight563.86 g/mol
Exact Mass560.77
IUPAC Name4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine
SMILESClc1cc(Cl)c(Cl)c(-c2cc(I)c(-c3cc(Cl)cc(Cl)c3Cl)cn2)c1
InChIInChI=1S/C17H6Cl6IN/c18-7-1-9(16(22)12(20)3-7)11-6-25-15(5-14(11)24)10-2-8(19)4-13(21)17(10)23/h1-6H
InChIKeyVGWACNXIXMRCHK-UHFFFAOYSA-N
XLogP8.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.86
LogP ≤ 58.94
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

2-chloro-5-iodo-3-(2,3,5-trichlorophenyl)pyridine
CID 119006573
2,5-bis(2,3,5-trichlorophenyl)pyridine
CID 134637222
4-chloro-6-(2,3,5-trichlorophenyl)pyrimidine
CID 24902237
2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637610
2-fluoro-4-iodo-3-(2,3,5-trichlorophenyl)pyridine
CID 134637480
methyl 5-amino-2-(2,3,5-trichlorophenyl)pyridine-4-carboxylate
CID 133087054
5-chloro-2-methoxy-3-(2,3,5-trichlorophenyl)pyridine
CID 134637303
2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine
CID 118999375
2-chloro-5-(2,3,5-trichlorophenyl)pyridin-3-amine
CID 134636944
2-chloro-4-iodo-5-(2,4,5-trichlorophenyl)pyridine
CID 119013818
[3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134637996
4-chloro-2-(2,3,5-trichlorophenyl)-6-(trifluoromethyl)pyridine
CID 134637430

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine?
The IUPAC name of 4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine (CID 134637060) is 4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine.
What is the SMILES notation for 4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine?
The canonical SMILES for 4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine is Clc1cc(Cl)c(Cl)c(-c2cc(I)c(-c3cc(Cl)cc(Cl)c3Cl)cn2)c1.
What is the InChIKey of 4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine?
The InChIKey is VGWACNXIXMRCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H6Cl6IN/c18-7-1-9(16(22)12(20)3-7)11-6-25-15(5-14(11)24)10-2-8(19)4-13(21)17(10)23/h1-6H.
What are the key properties of 4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine?
4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine has a molecular weight of 563.86 g/mol, XLogP of 8.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2,5-bis(2,3,5-trichlorophenyl)pyridine is sourced from PubChem (CID 134637060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).