5-bromo-2-(3,4-dichlorophenoxy)pyridine

C11H6BrCl2NO — CID 514889

IUPAC5-bromo-2-(3,4-dichlorophenoxy)pyridine
SMILESClc1ccc(Oc2ccc(Br)cn2)cc1Cl
InChIInChI=1S/C11H6BrCl2NO/c12-7-1-4-11(15-6-7)16-8-2-3-9(13)10(14)5-8/h1-6H
InChIKeyYAHPNYGXDBHDRK-UHFFFAOYSA-N
MW318.99 g/mol
LogP4.94
Rot. Bonds2

About 5-bromo-2-(3,4-dichlorophenoxy)pyridine

5-bromo-2-(3,4-dichlorophenoxy)pyridine (PubChem CID 514889) has the molecular formula C11H6BrCl2NO and a molecular weight of 318.99 g/mol. Its IUPAC name is 5-bromo-2-(3,4-dichlorophenoxy)pyridine.

Molecular Properties

Compound Name5-bromo-2-(3,4-dichlorophenoxy)pyridine
PubChem CID514889
Molecular FormulaC11H6BrCl2NO
Molecular Weight318.99 g/mol
Exact Mass316.90
IUPAC Name5-bromo-2-(3,4-dichlorophenoxy)pyridine
SMILESClc1ccc(Oc2ccc(Br)cn2)cc1Cl
InChIInChI=1S/C11H6BrCl2NO/c12-7-1-4-11(15-6-7)16-8-2-3-9(13)10(14)5-8/h1-6H
InChIKeyYAHPNYGXDBHDRK-UHFFFAOYSA-N
XLogP4.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.99
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,4-dichlorophenoxy)pyridine?
The IUPAC name of 5-bromo-2-(3,4-dichlorophenoxy)pyridine (CID 514889) is 5-bromo-2-(3,4-dichlorophenoxy)pyridine.
What is the SMILES notation for 5-bromo-2-(3,4-dichlorophenoxy)pyridine?
The canonical SMILES for 5-bromo-2-(3,4-dichlorophenoxy)pyridine is Clc1ccc(Oc2ccc(Br)cn2)cc1Cl.
What is the InChIKey of 5-bromo-2-(3,4-dichlorophenoxy)pyridine?
The InChIKey is YAHPNYGXDBHDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2NO/c12-7-1-4-11(15-6-7)16-8-2-3-9(13)10(14)5-8/h1-6H.
What are the key properties of 5-bromo-2-(3,4-dichlorophenoxy)pyridine?
5-bromo-2-(3,4-dichlorophenoxy)pyridine has a molecular weight of 318.99 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,4-dichlorophenoxy)pyridine is sourced from PubChem (CID 514889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).