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

C11H5BrCl2FNO — CID 103583765

IUPAC5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine
SMILESFc1c(Cl)cccc1Oc1ncc(Br)cc1Cl
InChIInChI=1S/C11H5BrCl2FNO/c12-6-4-8(14)11(16-5-6)17-9-3-1-2-7(13)10(9)15/h1-5H
InChIKeyLEVDFEMXGDDZHK-UHFFFAOYSA-N
MW336.98 g/mol
LogP5.08
Rot. Bonds2

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

5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine (PubChem CID 103583765) has the molecular formula C11H5BrCl2FNO and a molecular weight of 336.98 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine
PubChem CID103583765
Molecular FormulaC11H5BrCl2FNO
Molecular Weight336.98 g/mol
Exact Mass334.89
IUPAC Name5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine
SMILESFc1c(Cl)cccc1Oc1ncc(Br)cc1Cl
InChIInChI=1S/C11H5BrCl2FNO/c12-6-4-8(14)11(16-5-6)17-9-3-1-2-7(13)10(9)15/h1-5H
InChIKeyLEVDFEMXGDDZHK-UHFFFAOYSA-N
XLogP5.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.98
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine?
The IUPAC name of 5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine (CID 103583765) is 5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine is Fc1c(Cl)cccc1Oc1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine?
The InChIKey is LEVDFEMXGDDZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2FNO/c12-6-4-8(14)11(16-5-6)17-9-3-1-2-7(13)10(9)15/h1-5H.
What are the key properties of 5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine?
5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine has a molecular weight of 336.98 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(3-chloro-2-fluorophenoxy)pyridine is sourced from PubChem (CID 103583765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).