2-bromo-5-[(2R)-oxiran-2-yl]pyridine

C7H6BrNO — CID 99981068

IUPAC2-bromo-5-[(2R)-oxiran-2-yl]pyridine
SMILESBrc1ccc([C@@H]2CO2)cn1
InChIInChI=1S/C7H6BrNO/c8-7-2-1-5(3-9-7)6-4-10-6/h1-3,6H,4H2/t6-/m0/s1
InChIKeyOGTAGGFKFNYLKU-LURJTMIESA-N
MW200.03 g/mol
LogP1.92
Rot. Bonds1

About 2-bromo-5-[(2R)-oxiran-2-yl]pyridine

2-bromo-5-[(2R)-oxiran-2-yl]pyridine (PubChem CID 99981068) has the molecular formula C7H6BrNO and a molecular weight of 200.03 g/mol. Its IUPAC name is 2-bromo-5-[(2R)-oxiran-2-yl]pyridine.

Molecular Properties

Compound Name2-bromo-5-[(2R)-oxiran-2-yl]pyridine
PubChem CID99981068
Molecular FormulaC7H6BrNO
Molecular Weight200.03 g/mol
Exact Mass198.96
IUPAC Name2-bromo-5-[(2R)-oxiran-2-yl]pyridine
SMILESBrc1ccc([C@@H]2CO2)cn1
InChIInChI=1S/C7H6BrNO/c8-7-2-1-5(3-9-7)6-4-10-6/h1-3,6H,4H2/t6-/m0/s1
InChIKeyOGTAGGFKFNYLKU-LURJTMIESA-N
XLogP1.92
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.03
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2R)-oxiran-2-yl]pyridine?
The IUPAC name of 2-bromo-5-[(2R)-oxiran-2-yl]pyridine (CID 99981068) is 2-bromo-5-[(2R)-oxiran-2-yl]pyridine.
What is the SMILES notation for 2-bromo-5-[(2R)-oxiran-2-yl]pyridine?
The canonical SMILES for 2-bromo-5-[(2R)-oxiran-2-yl]pyridine is Brc1ccc([C@@H]2CO2)cn1.
What is the InChIKey of 2-bromo-5-[(2R)-oxiran-2-yl]pyridine?
The InChIKey is OGTAGGFKFNYLKU-LURJTMIESA-N. The full InChI is InChI=1S/C7H6BrNO/c8-7-2-1-5(3-9-7)6-4-10-6/h1-3,6H,4H2/t6-/m0/s1.
What are the key properties of 2-bromo-5-[(2R)-oxiran-2-yl]pyridine?
2-bromo-5-[(2R)-oxiran-2-yl]pyridine has a molecular weight of 200.03 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2R)-oxiran-2-yl]pyridine is sourced from PubChem (CID 99981068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).