2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine

C13H18BrNO — CID 114824015

IUPAC2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)C2COC(C)C2)nc1
InChIInChI=1S/C13H18BrNO/c1-9-3-4-12(15-7-9)6-13(14)11-5-10(2)16-8-11/h3-4,7,10-11,13H,5-6,8H2,1-2H3
InChIKeyLIEJOYQZOLZXTI-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.12
Rot. Bonds3

About 2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine

2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine (PubChem CID 114824015) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine
PubChem CID114824015
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)C2COC(C)C2)nc1
InChIInChI=1S/C13H18BrNO/c1-9-3-4-12(15-7-9)6-13(14)11-5-10(2)16-8-11/h3-4,7,10-11,13H,5-6,8H2,1-2H3
InChIKeyLIEJOYQZOLZXTI-UHFFFAOYSA-N
XLogP3.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine?
The IUPAC name of 2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine (CID 114824015) is 2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine?
The canonical SMILES for 2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine is Cc1ccc(CC(Br)C2COC(C)C2)nc1.
What is the InChIKey of 2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine?
The InChIKey is LIEJOYQZOLZXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-9-3-4-12(15-7-9)6-13(14)11-5-10(2)16-8-11/h3-4,7,10-11,13H,5-6,8H2,1-2H3.
What are the key properties of 2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine?
2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine has a molecular weight of 284.20 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine is sourced from PubChem (CID 114824015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).