2-iodo-6-(2,4,6-trichlorophenyl)pyridine

C11H5Cl3IN — CID 134636340

IUPAC2-iodo-6-(2,4,6-trichlorophenyl)pyridine
SMILESClc1cc(Cl)c(-c2cccc(I)n2)c(Cl)c1
InChIInChI=1S/C11H5Cl3IN/c12-6-4-7(13)11(8(14)5-6)9-2-1-3-10(15)16-9/h1-5H
InChIKeyNDJNJAGUJUBRQF-UHFFFAOYSA-N
MW384.43 g/mol
LogP5.31
Rot. Bonds1

About 2-iodo-6-(2,4,6-trichlorophenyl)pyridine

2-iodo-6-(2,4,6-trichlorophenyl)pyridine (PubChem CID 134636340) has the molecular formula C11H5Cl3IN and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-iodo-6-(2,4,6-trichlorophenyl)pyridine.

Molecular Properties

Compound Name2-iodo-6-(2,4,6-trichlorophenyl)pyridine
PubChem CID134636340
Molecular FormulaC11H5Cl3IN
Molecular Weight384.43 g/mol
Exact Mass382.85
IUPAC Name2-iodo-6-(2,4,6-trichlorophenyl)pyridine
SMILESClc1cc(Cl)c(-c2cccc(I)n2)c(Cl)c1
InChIInChI=1S/C11H5Cl3IN/c12-6-4-7(13)11(8(14)5-6)9-2-1-3-10(15)16-9/h1-5H
InChIKeyNDJNJAGUJUBRQF-UHFFFAOYSA-N
XLogP5.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(2,4,6-trichlorophenyl)pyridine-2-carbonitrile
CID 134636792
6-(2,4,6-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636818
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
3-iodo-6-(2,4,6-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134636359
4-chloro-2-iodo-6-phenylpyridine
CID 118799955
2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carboxylic acid
CID 133090291
2-chloro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 119015935
2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134635943
2-fluoro-6-(2,4,6-trichlorophenyl)pyridine-3-carbaldehyde
CID 133090273
3-fluoro-6-(2,4,6-trichlorophenyl)pyridine-2-carboxylic acid
CID 133090327
5-fluoro-2-(2,4,6-trichlorophenyl)pyridine
CID 133090364
2,4-bis(2,4,6-trichlorophenyl)-1,3-thiazole
CID 134617770

Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-(2,4,6-trichlorophenyl)pyridine?
The IUPAC name of 2-iodo-6-(2,4,6-trichlorophenyl)pyridine (CID 134636340) is 2-iodo-6-(2,4,6-trichlorophenyl)pyridine.
What is the SMILES notation for 2-iodo-6-(2,4,6-trichlorophenyl)pyridine?
The canonical SMILES for 2-iodo-6-(2,4,6-trichlorophenyl)pyridine is Clc1cc(Cl)c(-c2cccc(I)n2)c(Cl)c1.
What is the InChIKey of 2-iodo-6-(2,4,6-trichlorophenyl)pyridine?
The InChIKey is NDJNJAGUJUBRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3IN/c12-6-4-7(13)11(8(14)5-6)9-2-1-3-10(15)16-9/h1-5H.
What are the key properties of 2-iodo-6-(2,4,6-trichlorophenyl)pyridine?
2-iodo-6-(2,4,6-trichlorophenyl)pyridine has a molecular weight of 384.43 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-(2,4,6-trichlorophenyl)pyridine is sourced from PubChem (CID 134636340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).