5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine

C12H7BrCl2FNO — CID 82716130

IUPAC5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine
SMILESFc1cc(Oc2ncc(Br)cc2CCl)ccc1Cl
InChIInChI=1S/C12H7BrCl2FNO/c13-8-3-7(5-14)12(17-6-8)18-9-1-2-10(15)11(16)4-9/h1-4,6H,5H2
InChIKeyJUISROCYTRNHJG-UHFFFAOYSA-N
MW351.00 g/mol
LogP5.17
Rot. Bonds3

About 5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine

5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine (PubChem CID 82716130) has the molecular formula C12H7BrCl2FNO and a molecular weight of 351.00 g/mol. Its IUPAC name is 5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine
PubChem CID82716130
Molecular FormulaC12H7BrCl2FNO
Molecular Weight351.00 g/mol
Exact Mass348.91
IUPAC Name5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine
SMILESFc1cc(Oc2ncc(Br)cc2CCl)ccc1Cl
InChIInChI=1S/C12H7BrCl2FNO/c13-8-3-7(5-14)12(17-6-8)18-9-1-2-10(15)11(16)4-9/h1-4,6H,5H2
InChIKeyJUISROCYTRNHJG-UHFFFAOYSA-N
XLogP5.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.00
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)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-(chloromethyl)-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 102747278
5-bromo-3-chloro-2-(3,4-difluorophenoxy)pyridine
CID 103583644
5-bromo-3-(chloromethyl)-2-(4-iodophenoxy)pyridine
CID 63446894
5-bromo-3-(chloromethyl)-2-(3-ethoxyphenoxy)pyridine
CID 55060803
5-bromo-3-(chloromethyl)-2-(2-chloro-5-methylphenoxy)pyridine
CID 63447244
5-bromo-3-chloro-2-(4-fluorophenoxy)pyridine
CID 103583572
5-bromo-2-(4-chloro-3-fluorophenoxy)pyridine
CID 82716834
N-[[5-bromo-2-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 63878321
2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)quinoline
CID 82718093
5-bromo-2-(4-bromo-3,5-dimethylphenoxy)-3-(chloromethyl)pyridine
CID 107725632
5-bromo-3-chloro-2-[4-fluoro-3-(trifluoromethyl)phenoxy]pyridine
CID 103583775
N-[[5-bromo-2-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 63489176

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine?
The IUPAC name of 5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine (CID 82716130) is 5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine?
The canonical SMILES for 5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine is Fc1cc(Oc2ncc(Br)cc2CCl)ccc1Cl.
What is the InChIKey of 5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine?
The InChIKey is JUISROCYTRNHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2FNO/c13-8-3-7(5-14)12(17-6-8)18-9-1-2-10(15)11(16)4-9/h1-4,6H,5H2.
What are the key properties of 5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine?
5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine has a molecular weight of 351.00 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chloro-3-fluorophenoxy)-3-(chloromethyl)pyridine is sourced from PubChem (CID 82716130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).