3-(4-bromophenoxy)pyridine

C11H8BrNO — CID 12673495

IUPAC3-(4-bromophenoxy)pyridine
SMILESBrc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C11H8BrNO/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8H
InChIKeyARFFAYAYZONBST-UHFFFAOYSA-N
MW250.10 g/mol
LogP3.64
Rot. Bonds2

About 3-(4-bromophenoxy)pyridine

3-(4-bromophenoxy)pyridine (PubChem CID 12673495) has the molecular formula C11H8BrNO and a molecular weight of 250.10 g/mol. Its IUPAC name is 3-(4-bromophenoxy)pyridine.

Molecular Properties

Compound Name3-(4-bromophenoxy)pyridine
PubChem CID12673495
Molecular FormulaC11H8BrNO
Molecular Weight250.10 g/mol
Exact Mass248.98
IUPAC Name3-(4-bromophenoxy)pyridine
SMILESBrc1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C11H8BrNO/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8H
InChIKeyARFFAYAYZONBST-UHFFFAOYSA-N
XLogP3.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)pyridine?
The IUPAC name of 3-(4-bromophenoxy)pyridine (CID 12673495) is 3-(4-bromophenoxy)pyridine.
What is the SMILES notation for 3-(4-bromophenoxy)pyridine?
The canonical SMILES for 3-(4-bromophenoxy)pyridine is Brc1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 3-(4-bromophenoxy)pyridine?
The InChIKey is ARFFAYAYZONBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO/c12-9-3-5-10(6-4-9)14-11-2-1-7-13-8-11/h1-8H.
What are the key properties of 3-(4-bromophenoxy)pyridine?
3-(4-bromophenoxy)pyridine has a molecular weight of 250.10 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)pyridine is sourced from PubChem (CID 12673495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).