3-bromo-5-(2-methyloxiran-2-yl)pyridine

C8H8BrNO — CID 102567804

IUPAC3-bromo-5-(2-methyloxiran-2-yl)pyridine
SMILESCC1(c2cncc(Br)c2)CO1
InChIInChI=1S/C8H8BrNO/c1-8(5-11-8)6-2-7(9)4-10-3-6/h2-4H,5H2,1H3
InChIKeyJGBVRRRATNRAOR-UHFFFAOYSA-N
MW214.06 g/mol
LogP2.09
Rot. Bonds1

About 3-bromo-5-(2-methyloxiran-2-yl)pyridine

3-bromo-5-(2-methyloxiran-2-yl)pyridine (PubChem CID 102567804) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 3-bromo-5-(2-methyloxiran-2-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(2-methyloxiran-2-yl)pyridine
PubChem CID102567804
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name3-bromo-5-(2-methyloxiran-2-yl)pyridine
SMILESCC1(c2cncc(Br)c2)CO1
InChIInChI=1S/C8H8BrNO/c1-8(5-11-8)6-2-7(9)4-10-3-6/h2-4H,5H2,1H3
InChIKeyJGBVRRRATNRAOR-UHFFFAOYSA-N
XLogP2.09
TPSA25.42 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 ≤ 52.09
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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Related Compounds

3-bromo-5-[(2R)-2-methyloxiran-2-yl]pyridine
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1-(5-bromo-3-pyridinyl)-2-propylcyclopropan-1-ol
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1-(5-bromo-3-pyridinyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-methyloxiran-2-yl)pyridine?
The IUPAC name of 3-bromo-5-(2-methyloxiran-2-yl)pyridine (CID 102567804) is 3-bromo-5-(2-methyloxiran-2-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(2-methyloxiran-2-yl)pyridine?
The canonical SMILES for 3-bromo-5-(2-methyloxiran-2-yl)pyridine is CC1(c2cncc(Br)c2)CO1.
What is the InChIKey of 3-bromo-5-(2-methyloxiran-2-yl)pyridine?
The InChIKey is JGBVRRRATNRAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-8(5-11-8)6-2-7(9)4-10-3-6/h2-4H,5H2,1H3.
What are the key properties of 3-bromo-5-(2-methyloxiran-2-yl)pyridine?
3-bromo-5-(2-methyloxiran-2-yl)pyridine has a molecular weight of 214.06 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-methyloxiran-2-yl)pyridine is sourced from PubChem (CID 102567804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).