5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine

C12H8BrClINO — CID 63446894

IUPAC5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine
SMILESClCc1cc(Br)cnc1Oc1ccc(I)cc1
InChIInChI=1S/C12H8BrClINO/c13-9-5-8(6-14)12(16-7-9)17-11-3-1-10(15)2-4-11/h1-5,7H,6H2
InChIKeyLHSGNFFOPWASLZ-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.98
Rot. Bonds3

About 5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine

5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine (PubChem CID 63446894) has the molecular formula C12H8BrClINO and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine
PubChem CID63446894
Molecular FormulaC12H8BrClINO
Molecular Weight424.46 g/mol
Exact Mass422.85
IUPAC Name5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine
SMILESClCc1cc(Br)cnc1Oc1ccc(I)cc1
InChIInChI=1S/C12H8BrClINO/c13-9-5-8(6-14)12(16-7-9)17-11-3-1-10(15)2-4-11/h1-5,7H,6H2
InChIKeyLHSGNFFOPWASLZ-UHFFFAOYSA-N
XLogP4.98
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-chloro-2-(4-iodophenoxy)pyridine
CID 103582296
5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine
CID 82716130
5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 107725632
5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine
CID 55060803
5-bromo-3-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747278
5-bromo-3-(chloromethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 63446322
[5-bromo-2-(4-methylphenoxy)-3-pyridinyl]methanamine
CID 55058835
5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine
CID 63447244
5-bromo-2-(4-chloro-2,6-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 63446614
5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine
CID 103583572
5-bromo-2-(2-tert-butyl-5-methylphenoxy)-3-(chloromethyl)pyridine
CID 63446360
5-bromo-3-(chloromethyl)-2-(2,2-difluoroethoxy)pyridine
CID 82006550

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine?
The IUPAC name of 5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine (CID 63446894) is 5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine.
What is the SMILES notation for 5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine?
The canonical SMILES for 5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine is ClCc1cc(Br)cnc1Oc1ccc(I)cc1.
What is the InChIKey of 5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine?
The InChIKey is LHSGNFFOPWASLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClINO/c13-9-5-8(6-14)12(16-7-9)17-11-3-1-10(15)2-4-11/h1-5,7H,6H2.
What are the key properties of 5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine?
5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine has a molecular weight of 424.46 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine is sourced from PubChem (CID 63446894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).