2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine

C11H5Cl3INO — CID 134813639

IUPAC2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine
SMILESClc1cc(I)ccc1Oc1ccnc(Cl)c1Cl
InChIInChI=1S/C11H5Cl3INO/c12-7-5-6(15)1-2-8(7)17-9-3-4-16-11(14)10(9)13/h1-5H
InChIKeyWFORDWRKKGDLHF-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.44
Rot. Bonds2

About 2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine

2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine (PubChem CID 134813639) has the molecular formula C11H5Cl3INO and a molecular weight of 400.43 g/mol. Its IUPAC name is 2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine.

Molecular Properties

Compound Name2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine
PubChem CID134813639
Molecular FormulaC11H5Cl3INO
Molecular Weight400.43 g/mol
Exact Mass398.85
IUPAC Name2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine
SMILESClc1cc(I)ccc1Oc1ccnc(Cl)c1Cl
InChIInChI=1S/C11H5Cl3INO/c12-7-5-6(15)1-2-8(7)17-9-3-4-16-11(14)10(9)13/h1-5H
InChIKeyWFORDWRKKGDLHF-UHFFFAOYSA-N
XLogP5.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine?
The IUPAC name of 2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine (CID 134813639) is 2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine.
What is the SMILES notation for 2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine?
The canonical SMILES for 2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine is Clc1cc(I)ccc1Oc1ccnc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine?
The InChIKey is WFORDWRKKGDLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3INO/c12-7-5-6(15)1-2-8(7)17-9-3-4-16-11(14)10(9)13/h1-5H.
What are the key properties of 2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine?
2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine has a molecular weight of 400.43 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(2-chloro-4-iodophenoxy)pyridine is sourced from PubChem (CID 134813639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).