2-bromo-6-(2-methoxyethoxy)pyridine

C8H10BrNO2 — CID 63964039

IUPAC2-bromo-6-(2-methoxyethoxy)pyridine
SMILESCOCCOc1cccc(Br)n1
InChIInChI=1S/C8H10BrNO2/c1-11-5-6-12-8-4-2-3-7(9)10-8/h2-4H,5-6H2,1H3
InChIKeyVMBMUWRBVAYXAD-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.87
Rot. Bonds4

About 2-bromo-6-(2-methoxyethoxy)pyridine

2-bromo-6-(2-methoxyethoxy)pyridine (PubChem CID 63964039) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 2-bromo-6-(2-methoxyethoxy)pyridine.

Molecular Properties

Compound Name2-bromo-6-(2-methoxyethoxy)pyridine
PubChem CID63964039
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name2-bromo-6-(2-methoxyethoxy)pyridine
SMILESCOCCOc1cccc(Br)n1
InChIInChI=1S/C8H10BrNO2/c1-11-5-6-12-8-4-2-3-7(9)10-8/h2-4H,5-6H2,1H3
InChIKeyVMBMUWRBVAYXAD-UHFFFAOYSA-N
XLogP1.87
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-methoxyethoxy)pyridine?
The IUPAC name of 2-bromo-6-(2-methoxyethoxy)pyridine (CID 63964039) is 2-bromo-6-(2-methoxyethoxy)pyridine.
What is the SMILES notation for 2-bromo-6-(2-methoxyethoxy)pyridine?
The canonical SMILES for 2-bromo-6-(2-methoxyethoxy)pyridine is COCCOc1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(2-methoxyethoxy)pyridine?
The InChIKey is VMBMUWRBVAYXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-11-5-6-12-8-4-2-3-7(9)10-8/h2-4H,5-6H2,1H3.
What are the key properties of 2-bromo-6-(2-methoxyethoxy)pyridine?
2-bromo-6-(2-methoxyethoxy)pyridine has a molecular weight of 232.08 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-methoxyethoxy)pyridine is sourced from PubChem (CID 63964039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).