4-bromo-3-(oxiran-2-yl)pyridine

C7H6BrNO — CID 102567811

IUPAC4-bromo-3-(oxiran-2-yl)pyridine
SMILESBrc1ccncc1C1CO1
InChIInChI=1S/C7H6BrNO/c8-6-1-2-9-3-5(6)7-4-10-7/h1-3,7H,4H2
InChIKeyNNIJRMSSIUMOSS-UHFFFAOYSA-N
MW200.03 g/mol
LogP1.92
Rot. Bonds1

About 4-bromo-3-(oxiran-2-yl)pyridine

4-bromo-3-(oxiran-2-yl)pyridine (PubChem CID 102567811) has the molecular formula C7H6BrNO and a molecular weight of 200.03 g/mol. Its IUPAC name is 4-bromo-3-(oxiran-2-yl)pyridine.

Molecular Properties

Compound Name4-bromo-3-(oxiran-2-yl)pyridine
PubChem CID102567811
Molecular FormulaC7H6BrNO
Molecular Weight200.03 g/mol
Exact Mass198.96
IUPAC Name4-bromo-3-(oxiran-2-yl)pyridine
SMILESBrc1ccncc1C1CO1
InChIInChI=1S/C7H6BrNO/c8-6-1-2-9-3-5(6)7-4-10-7/h1-3,7H,4H2
InChIKeyNNIJRMSSIUMOSS-UHFFFAOYSA-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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(oxiran-2-yl)pyridine?
The IUPAC name of 4-bromo-3-(oxiran-2-yl)pyridine (CID 102567811) is 4-bromo-3-(oxiran-2-yl)pyridine.
What is the SMILES notation for 4-bromo-3-(oxiran-2-yl)pyridine?
The canonical SMILES for 4-bromo-3-(oxiran-2-yl)pyridine is Brc1ccncc1C1CO1.
What is the InChIKey of 4-bromo-3-(oxiran-2-yl)pyridine?
The InChIKey is NNIJRMSSIUMOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO/c8-6-1-2-9-3-5(6)7-4-10-7/h1-3,7H,4H2.
What are the key properties of 4-bromo-3-(oxiran-2-yl)pyridine?
4-bromo-3-(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 4-bromo-3-(oxiran-2-yl)pyridine is sourced from PubChem (CID 102567811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).