5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine

C12H16BrNO3 — CID 150391771

IUPAC5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
SMILESBrc1ccc(OCCOC2CCCCO2)nc1
InChIInChI=1S/C12H16BrNO3/c13-10-4-5-11(14-9-10)15-7-8-17-12-3-1-2-6-16-12/h4-5,9,12H,1-3,6-8H2
InChIKeyHBVWAKRXGAKQIC-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.77
Rot. Bonds5

About 5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine

5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine (PubChem CID 150391771) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine.

Molecular Properties

Compound Name5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
PubChem CID150391771
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC Name5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
SMILESBrc1ccc(OCCOC2CCCCO2)nc1
InChIInChI=1S/C12H16BrNO3/c13-10-4-5-11(14-9-10)15-7-8-17-12-3-1-2-6-16-12/h4-5,9,12H,1-3,6-8H2
InChIKeyHBVWAKRXGAKQIC-UHFFFAOYSA-N
XLogP2.77
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
5-(3-methylbut-2-enoxymethyl)-2-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 144830019
5-bromo-2-[3,3-difluoro-1-(oxan-2-yloxymethyl)cyclobutyl]pyridine
CID 169267521
2-(2-phenoxyethoxy)oxane
CID 11736193
4-[5-bromo-2-[2-(oxan-2-yloxy)ethoxy]-3-pyridinyl]morpholine
CID 118938869
2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 178150765
3,4-dimethyl-6-[2-[(2R)-oxan-2-yl]oxyethoxy]pyridazine
CID 99799558
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
2-[4-(3-bromophenoxy)butoxy]oxane
CID 59476029
2-[2-(4-bromo-3-methylphenoxy)ethoxy]oxane
CID 67314274
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-bromo-5-(oxan-2-yloxymethyl)pyridine
CID 18469682

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine?
The IUPAC name of 5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine (CID 150391771) is 5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine.
What is the SMILES notation for 5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine?
The canonical SMILES for 5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine is Brc1ccc(OCCOC2CCCCO2)nc1.
What is the InChIKey of 5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine?
The InChIKey is HBVWAKRXGAKQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c13-10-4-5-11(14-9-10)15-7-8-17-12-3-1-2-6-16-12/h4-5,9,12H,1-3,6-8H2.
What are the key properties of 5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine?
5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine has a molecular weight of 302.17 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine is sourced from PubChem (CID 150391771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).