5-bromo-2-(oxetan-2-yl)pyridine

C8H8BrNO — CID 158241460

IUPAC5-bromo-2-(oxetan-2-yl)pyridine
SMILESBrc1ccc(C2CCO2)nc1
InChIInChI=1S/C8H8BrNO/c9-6-1-2-7(10-5-6)8-3-4-11-8/h1-2,5,8H,3-4H2
InChIKeyGFOZJZFVDGAOAX-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.31
Rot. Bonds1

About 5-bromo-2-(oxetan-2-yl)pyridine

5-bromo-2-(oxetan-2-yl)pyridine (PubChem CID 158241460) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 5-bromo-2-(oxetan-2-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(oxetan-2-yl)pyridine
PubChem CID158241460
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name5-bromo-2-(oxetan-2-yl)pyridine
SMILESBrc1ccc(C2CCO2)nc1
InChIInChI=1S/C8H8BrNO/c9-6-1-2-7(10-5-6)8-3-4-11-8/h1-2,5,8H,3-4H2
InChIKeyGFOZJZFVDGAOAX-UHFFFAOYSA-N
XLogP2.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(oxetan-2-yl)pyridine?
The IUPAC name of 5-bromo-2-(oxetan-2-yl)pyridine (CID 158241460) is 5-bromo-2-(oxetan-2-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(oxetan-2-yl)pyridine?
The canonical SMILES for 5-bromo-2-(oxetan-2-yl)pyridine is Brc1ccc(C2CCO2)nc1.
What is the InChIKey of 5-bromo-2-(oxetan-2-yl)pyridine?
The InChIKey is GFOZJZFVDGAOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c9-6-1-2-7(10-5-6)8-3-4-11-8/h1-2,5,8H,3-4H2.
What are the key properties of 5-bromo-2-(oxetan-2-yl)pyridine?
5-bromo-2-(oxetan-2-yl)pyridine has a molecular weight of 214.06 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(oxetan-2-yl)pyridine is sourced from PubChem (CID 158241460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).