2-bromo-6-(3-ethoxyphenoxy)pyridine

C13H12BrNO2 — CID 817495

IUPAC2-bromo-6-(3-ethoxyphenoxy)pyridine
SMILESCCOc1cccc(Oc2cccc(Br)n2)c1
InChIInChI=1S/C13H12BrNO2/c1-2-16-10-5-3-6-11(9-10)17-13-8-4-7-12(14)15-13/h3-9H,2H2,1H3
InChIKeyIGWVIFDPCPERRU-UHFFFAOYSA-N
MW294.15 g/mol
LogP4.04
Rot. Bonds4

About 2-bromo-6-(3-ethoxyphenoxy)pyridine

2-bromo-6-(3-ethoxyphenoxy)pyridine (PubChem CID 817495) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 2-bromo-6-(3-ethoxyphenoxy)pyridine.

Molecular Properties

Compound Name2-bromo-6-(3-ethoxyphenoxy)pyridine
PubChem CID817495
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name2-bromo-6-(3-ethoxyphenoxy)pyridine
SMILESCCOc1cccc(Oc2cccc(Br)n2)c1
InChIInChI=1S/C13H12BrNO2/c1-2-16-10-5-3-6-11(9-10)17-13-8-4-7-12(14)15-13/h3-9H,2H2,1H3
InChIKeyIGWVIFDPCPERRU-UHFFFAOYSA-N
XLogP4.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-ethoxyphenoxy)pyridine?
The IUPAC name of 2-bromo-6-(3-ethoxyphenoxy)pyridine (CID 817495) is 2-bromo-6-(3-ethoxyphenoxy)pyridine.
What is the SMILES notation for 2-bromo-6-(3-ethoxyphenoxy)pyridine?
The canonical SMILES for 2-bromo-6-(3-ethoxyphenoxy)pyridine is CCOc1cccc(Oc2cccc(Br)n2)c1.
What is the InChIKey of 2-bromo-6-(3-ethoxyphenoxy)pyridine?
The InChIKey is IGWVIFDPCPERRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-2-16-10-5-3-6-11(9-10)17-13-8-4-7-12(14)15-13/h3-9H,2H2,1H3.
What are the key properties of 2-bromo-6-(3-ethoxyphenoxy)pyridine?
2-bromo-6-(3-ethoxyphenoxy)pyridine has a molecular weight of 294.15 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-ethoxyphenoxy)pyridine is sourced from PubChem (CID 817495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).