2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine

C13H11Br2NO2 — CID 62047656

IUPAC2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine
SMILESBrc1cccc(OCCOc2cccnc2Br)c1
InChIInChI=1S/C13H11Br2NO2/c14-10-3-1-4-11(9-10)17-7-8-18-12-5-2-6-16-13(12)15/h1-6,9H,7-8H2
InChIKeyMAXSFSVNODVMLE-UHFFFAOYSA-N
MW373.04 g/mol
LogP4.06
Rot. Bonds5

About 2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine

2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine (PubChem CID 62047656) has the molecular formula C13H11Br2NO2 and a molecular weight of 373.04 g/mol. Its IUPAC name is 2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine.

Molecular Properties

Compound Name2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine
PubChem CID62047656
Molecular FormulaC13H11Br2NO2
Molecular Weight373.04 g/mol
Exact Mass370.92
IUPAC Name2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine
SMILESBrc1cccc(OCCOc2cccnc2Br)c1
InChIInChI=1S/C13H11Br2NO2/c14-10-3-1-4-11(9-10)17-7-8-18-12-5-2-6-16-13(12)15/h1-6,9H,7-8H2
InChIKeyMAXSFSVNODVMLE-UHFFFAOYSA-N
XLogP4.06
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.04
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid
CID 61380364
2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine
CID 62047657
2-[(2-bromo-3-pyridinyl)oxy]ethanol
CID 22036263
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
2-[2-(3-bromophenoxy)ethylsulfanyl]pyrimidine
CID 2086774
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline
CID 107498125
3-(3-bromophenoxy)propane-1-thiol
CID 79019350
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
CID 55224568
2-bromo-3-(3-methoxy-3-methylbutoxy)pyridine
CID 102975066

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine?
The IUPAC name of 2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine (CID 62047656) is 2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine.
What is the SMILES notation for 2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine?
The canonical SMILES for 2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine is Brc1cccc(OCCOc2cccnc2Br)c1.
What is the InChIKey of 2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine?
The InChIKey is MAXSFSVNODVMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2/c14-10-3-1-4-11(9-10)17-7-8-18-12-5-2-6-16-13(12)15/h1-6,9H,7-8H2.
What are the key properties of 2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine?
2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine has a molecular weight of 373.04 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine is sourced from PubChem (CID 62047656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).