2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine

C12H16BrNO2 — CID 59665437

IUPAC2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine
SMILESBrc1cccc(CCOC2CCCCO2)n1
InChIInChI=1S/C12H16BrNO2/c13-11-5-3-4-10(14-11)7-9-16-12-6-1-2-8-15-12/h3-5,12H,1-2,6-9H2
InChIKeyUSEVSZILKXHTBY-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.93
Rot. Bonds4

About 2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine

2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine (PubChem CID 59665437) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine
PubChem CID59665437
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine
SMILESBrc1cccc(CCOC2CCCCO2)n1
InChIInChI=1S/C12H16BrNO2/c13-11-5-3-4-10(14-11)7-9-16-12-6-1-2-8-15-12/h3-5,12H,1-2,6-9H2
InChIKeyUSEVSZILKXHTBY-UHFFFAOYSA-N
XLogP2.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[3-(oxan-2-yloxy)propyl]pyridin-2-amine
CID 18771920
2-[4-(3-bromophenoxy)butoxy]oxane
CID 59476029
4-bromo-1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole
CID 129379720
2-(6-bromo-2-pyridinyl)ethanol;oxolane
CID 161320923
[4-[2-[(2S)-oxan-2-yl]oxyethyl]phenyl]methanol
CID 129389896
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
2-[2-(2-bromo-5-chlorophenyl)ethoxy]oxane
CID 170630411
2-(2-phenoxyethoxy)oxane
CID 11736193
[2-[2-(oxan-2-yloxy)ethyl]phenyl]boronic acid
CID 23152918
5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 150391771
2-bromo-3-[4-(oxan-2-yloxy)butoxy]benzonitrile
CID 171476346
2-[3-(3-bromophenyl)sulfonylpropoxy]oxane
CID 68669301

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine?
The IUPAC name of 2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine (CID 59665437) is 2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine.
What is the SMILES notation for 2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine?
The canonical SMILES for 2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine is Brc1cccc(CCOC2CCCCO2)n1.
What is the InChIKey of 2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine?
The InChIKey is USEVSZILKXHTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-11-5-3-4-10(14-11)7-9-16-12-6-1-2-8-15-12/h3-5,12H,1-2,6-9H2.
What are the key properties of 2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine?
2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine has a molecular weight of 286.17 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine is sourced from PubChem (CID 59665437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).