2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine

C15H23BrN4O5 — CID 168945656

IUPAC2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOc1cc(Br)ccn1
InChIInChI=1S/C15H23BrN4O5/c16-14-1-2-18-15(13-14)25-12-11-24-10-9-23-8-7-22-6-5-21-4-3-19-20-17/h1-2,13H,3-12H2
InChIKeyHWVNPAOTDUTQQU-UHFFFAOYSA-N
MW419.28 g/mol
LogP2.60
Rot. Bonds16

About 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine

2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine (PubChem CID 168945656) has the molecular formula C15H23BrN4O5 and a molecular weight of 419.28 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine
PubChem CID168945656
Molecular FormulaC15H23BrN4O5
Molecular Weight419.28 g/mol
Exact Mass418.09
IUPAC Name2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine
SMILES[N-]=[N+]=NCCOCCOCCOCCOCCOc1cc(Br)ccn1
InChIInChI=1S/C15H23BrN4O5/c16-14-1-2-18-15(13-14)25-12-11-24-10-9-23-8-7-22-6-5-21-4-3-19-20-17/h1-2,13H,3-12H2
InChIKeyHWVNPAOTDUTQQU-UHFFFAOYSA-N
XLogP2.60
TPSA107.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine
CID 172537257
4-bromo-2-(2-methylsulfanylethoxy)pyridine
CID 170784646
1-azido-2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796295
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 165429946
1-azido-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 118796317
2-(2-azidoethoxy)-4-bromo-1-methylbenzene
CID 107285403
4-bromo-2-ethoxypyridine
CID 2762557
4-(2-azidoethoxy)pyridin-2-amine
CID 169237712
1-[2-(2-azidoethoxy)ethoxy]-3-(iodomethyl)benzene
CID 175804150
4-[(E)-2-[6-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methylaniline
CID 172537243
14-[(4-bromo-2-pyridinyl)oxy]tetradecanoic acid
CID 168945983
1,5-bis(2-azidoethoxy)-3,3-bis[2-(2-azidoethoxy)ethyl]pentane
CID 140930764

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine?
The IUPAC name of 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine (CID 168945656) is 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine?
The canonical SMILES for 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine is [N-]=[N+]=NCCOCCOCCOCCOCCOc1cc(Br)ccn1.
What is the InChIKey of 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine?
The InChIKey is HWVNPAOTDUTQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O5/c16-14-1-2-18-15(13-14)25-12-11-24-10-9-23-8-7-22-6-5-21-4-3-19-20-17/h1-2,13H,3-12H2.
What are the key properties of 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine?
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine has a molecular weight of 419.28 g/mol, XLogP of 2.60, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-bromopyridine is sourced from PubChem (CID 168945656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).