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

C11H5Cl3IN — CID 134636344

IUPAC4-iodo-3-(2,3,4-trichlorophenyl)pyridine
SMILESClc1ccc(-c2cnccc2I)c(Cl)c1Cl
InChIInChI=1S/C11H5Cl3IN/c12-8-2-1-6(10(13)11(8)14)7-5-16-4-3-9(7)15/h1-5H
InChIKeyTZDPUHHZVAUZTJ-UHFFFAOYSA-N
MW384.43 g/mol
LogP5.31
Rot. Bonds1

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

4-iodo-3-(2,3,4-trichlorophenyl)pyridine (PubChem CID 134636344) has the molecular formula C11H5Cl3IN and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-iodo-3-(2,3,4-trichlorophenyl)pyridine.

Molecular Properties

Compound Name4-iodo-3-(2,3,4-trichlorophenyl)pyridine
PubChem CID134636344
Molecular FormulaC11H5Cl3IN
Molecular Weight384.43 g/mol
Exact Mass382.85
IUPAC Name4-iodo-3-(2,3,4-trichlorophenyl)pyridine
SMILESClc1ccc(-c2cnccc2I)c(Cl)c1Cl
InChIInChI=1S/C11H5Cl3IN/c12-8-2-1-6(10(13)11(8)14)7-5-16-4-3-9(7)15/h1-5H
InChIKeyTZDPUHHZVAUZTJ-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': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-3-(2,3-dichlorophenyl)pyridine
CID 118828416
3-chloro-5-(2,3,4-trichlorophenyl)pyridine-4-carbaldehyde
CID 134635841
4-fluoro-3-(2,3,6-trichlorophenyl)pyridine
CID 134637571
3-iodo-5-(2,3,4-trichlorophenyl)pyridin-2-amine
CID 119017203
2-[3,5-bis(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134635869
4-(4-iodo-3-pyridinyl)pyrimidine
CID 147379627
2,6-dichloro-3-(2,3,4-trichlorophenyl)pyridine
CID 118997066
5-(2,3,4-trichlorophenyl)-1H-imidazole
CID 22367963
3-chloro-5-fluoro-4-(2,3,4-trichlorophenyl)pyridine
CID 133090143
5-chloro-2-methoxy-3-(2,3,4-trichlorophenyl)pyridine
CID 134635987
3-chloro-4-(2,3,4-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134636130
7-chloro-8-iodoisoquinoline
CID 142740347

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-(2,3,4-trichlorophenyl)pyridine?
The IUPAC name of 4-iodo-3-(2,3,4-trichlorophenyl)pyridine (CID 134636344) is 4-iodo-3-(2,3,4-trichlorophenyl)pyridine.
What is the SMILES notation for 4-iodo-3-(2,3,4-trichlorophenyl)pyridine?
The canonical SMILES for 4-iodo-3-(2,3,4-trichlorophenyl)pyridine is Clc1ccc(-c2cnccc2I)c(Cl)c1Cl.
What is the InChIKey of 4-iodo-3-(2,3,4-trichlorophenyl)pyridine?
The InChIKey is TZDPUHHZVAUZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3IN/c12-8-2-1-6(10(13)11(8)14)7-5-16-4-3-9(7)15/h1-5H.
What are the key properties of 4-iodo-3-(2,3,4-trichlorophenyl)pyridine?
4-iodo-3-(2,3,4-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 4-iodo-3-(2,3,4-trichlorophenyl)pyridine is sourced from PubChem (CID 134636344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).