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

C11H6Br2FNO — CID 114673272

IUPAC3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine
SMILESFc1ccc(Br)cc1Oc1ncccc1Br
InChIInChI=1S/C11H6Br2FNO/c12-7-3-4-9(14)10(6-7)16-11-8(13)2-1-5-15-11/h1-6H
InChIKeyFWHGWSUBEHTMKV-UHFFFAOYSA-N
MW346.98 g/mol
LogP4.54
Rot. Bonds2

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

3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine (PubChem CID 114673272) has the molecular formula C11H6Br2FNO and a molecular weight of 346.98 g/mol. Its IUPAC name is 3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine.

Molecular Properties

Compound Name3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine
PubChem CID114673272
Molecular FormulaC11H6Br2FNO
Molecular Weight346.98 g/mol
Exact Mass344.88
IUPAC Name3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine
SMILESFc1ccc(Br)cc1Oc1ncccc1Br
InChIInChI=1S/C11H6Br2FNO/c12-7-3-4-9(14)10(6-7)16-11-8(13)2-1-5-15-11/h1-6H
InChIKeyFWHGWSUBEHTMKV-UHFFFAOYSA-N
XLogP4.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.98
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine?
The IUPAC name of 3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine (CID 114673272) is 3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine.
What is the SMILES notation for 3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine?
The canonical SMILES for 3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine is Fc1ccc(Br)cc1Oc1ncccc1Br.
What is the InChIKey of 3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine?
The InChIKey is FWHGWSUBEHTMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2FNO/c12-7-3-4-9(14)10(6-7)16-11-8(13)2-1-5-15-11/h1-6H.
What are the key properties of 3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine?
3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine has a molecular weight of 346.98 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine is sourced from PubChem (CID 114673272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).