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

C11H7Br2NO — CID 63962984

IUPAC2-bromo-6-(3-bromophenoxy)pyridine
SMILESBrc1cccc(Oc2cccc(Br)n2)c1
InChIInChI=1S/C11H7Br2NO/c12-8-3-1-4-9(7-8)15-11-6-2-5-10(13)14-11/h1-7H
InChIKeyGNIAKJYPSQRNFW-UHFFFAOYSA-N
MW328.99 g/mol
LogP4.40
Rot. Bonds2

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

2-bromo-6-(3-bromophenoxy)pyridine (PubChem CID 63962984) has the molecular formula C11H7Br2NO and a molecular weight of 328.99 g/mol. Its IUPAC name is 2-bromo-6-(3-bromophenoxy)pyridine.

Molecular Properties

Compound Name2-bromo-6-(3-bromophenoxy)pyridine
PubChem CID63962984
Molecular FormulaC11H7Br2NO
Molecular Weight328.99 g/mol
Exact Mass326.89
IUPAC Name2-bromo-6-(3-bromophenoxy)pyridine
SMILESBrc1cccc(Oc2cccc(Br)n2)c1
InChIInChI=1S/C11H7Br2NO/c12-8-3-1-4-9(7-8)15-11-6-2-5-10(13)14-11/h1-7H
InChIKeyGNIAKJYPSQRNFW-UHFFFAOYSA-N
XLogP4.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.99
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bromophenoxy)pyridine?
The IUPAC name of 2-bromo-6-(3-bromophenoxy)pyridine (CID 63962984) is 2-bromo-6-(3-bromophenoxy)pyridine.
What is the SMILES notation for 2-bromo-6-(3-bromophenoxy)pyridine?
The canonical SMILES for 2-bromo-6-(3-bromophenoxy)pyridine is Brc1cccc(Oc2cccc(Br)n2)c1.
What is the InChIKey of 2-bromo-6-(3-bromophenoxy)pyridine?
The InChIKey is GNIAKJYPSQRNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NO/c12-8-3-1-4-9(7-8)15-11-6-2-5-10(13)14-11/h1-7H.
What are the key properties of 2-bromo-6-(3-bromophenoxy)pyridine?
2-bromo-6-(3-bromophenoxy)pyridine has a molecular weight of 328.99 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-bromophenoxy)pyridine is sourced from PubChem (CID 63962984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).