2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine

C14H14Br2N2O3 — CID 11177547

IUPAC2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine
SMILESBrc1cccc(OCCOCCOc2cccc(Br)n2)n1
InChIInChI=1S/C14H14Br2N2O3/c15-11-3-1-5-13(17-11)20-9-7-19-8-10-21-14-6-2-4-12(16)18-14/h1-6H,7-10H2
InChIKeyDEYIHADHRQYKMY-UHFFFAOYSA-N
MW418.09 g/mol
LogP3.48
Rot. Bonds8

About 2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine

2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine (PubChem CID 11177547) has the molecular formula C14H14Br2N2O3 and a molecular weight of 418.09 g/mol. Its IUPAC name is 2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine.

Molecular Properties

Compound Name2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine
PubChem CID11177547
Molecular FormulaC14H14Br2N2O3
Molecular Weight418.09 g/mol
Exact Mass415.94
IUPAC Name2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine
SMILESBrc1cccc(OCCOCCOc2cccc(Br)n2)n1
InChIInChI=1S/C14H14Br2N2O3/c15-11-3-1-5-13(17-11)20-9-7-19-8-10-21-14-6-2-4-12(16)18-14/h1-6H,7-10H2
InChIKeyDEYIHADHRQYKMY-UHFFFAOYSA-N
XLogP3.48
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.09
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-6-methoxypyridine
CID 256810
2-(6-Bromopyridin-2-yloxy)-N,N-dimethylethan-amine
CID 46233349
3-Bromo-2,6-dimethoxypyridine
CID 642860
2-Bromo-6-tert-butoxypyridine
CID 29919811
2-Benzyloxy-6-bromopyridine
CID 817475
2-Bromo-6-ethoxypyridine
CID 1201018
5-Bromo-2-(tetrahydro-2H-pyran-4-yloxy)pyridine
CID 21914391
2-Bromo-6-isopropoxypyridine
CID 22180768
2-Bromo-6-(2-methoxyethoxy)pyridine
CID 63964039
2-Bromo-6-cyclopropoxypyridine
CID 72219282
6-bromo-2H,3H-[1,4]dioxino[2,3-b]pyridine
CID 83679909
Tert-butyl 2-((6-bromopyridin-2-yl)oxy)acetate
CID 155822615

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine?
The IUPAC name of 2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine (CID 11177547) is 2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine.
What is the SMILES notation for 2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine?
The canonical SMILES for 2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine is Brc1cccc(OCCOCCOc2cccc(Br)n2)n1.
What is the InChIKey of 2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine?
The InChIKey is DEYIHADHRQYKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O3/c15-11-3-1-5-13(17-11)20-9-7-19-8-10-21-14-6-2-4-12(16)18-14/h1-6H,7-10H2.
What are the key properties of 2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine?
2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine has a molecular weight of 418.09 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine is sourced from PubChem (CID 11177547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).