2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine

C14H12Br3NO2 — CID 107745738

IUPAC2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine
SMILESCOc1cccc(COc2c(Br)cc(CBr)cc2Br)n1
InChIInChI=1S/C14H12Br3NO2/c1-19-13-4-2-3-10(18-13)8-20-14-11(16)5-9(7-15)6-12(14)17/h2-6H,7-8H2,1H3
InChIKeyAOSWABBSDYCUCZ-UHFFFAOYSA-N
MW465.97 g/mol
LogP5.09
Rot. Bonds5

About 2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine

2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine (PubChem CID 107745738) has the molecular formula C14H12Br3NO2 and a molecular weight of 465.97 g/mol. Its IUPAC name is 2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine.

Molecular Properties

Compound Name2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine
PubChem CID107745738
Molecular FormulaC14H12Br3NO2
Molecular Weight465.97 g/mol
Exact Mass462.84
IUPAC Name2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine
SMILESCOc1cccc(COc2c(Br)cc(CBr)cc2Br)n1
InChIInChI=1S/C14H12Br3NO2/c1-19-13-4-2-3-10(18-13)8-20-14-11(16)5-9(7-15)6-12(14)17/h2-6H,7-8H2,1H3
InChIKeyAOSWABBSDYCUCZ-UHFFFAOYSA-N
XLogP5.09
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.97
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(bromomethyl)-6-methylphenoxy]methyl]-6-methoxypyridine
CID 112614202
2-[(2,6-dimethylphenoxy)methyl]-6-methoxypyridine
CID 83057705
[5-chloro-3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methanol
CID 104666095
2-[(4-bromo-2-methylphenoxy)methyl]-6-methoxypyridine
CID 63986285
2-[(4-ethylphenoxy)methyl]-6-methoxypyridine
CID 64763644
2-[3-methoxy-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63987113
4-[(6-methoxy-2-pyridinyl)methoxy]-2,5-dimethylaniline
CID 63993109
2-[[2-(bromomethyl)-4-nitrophenoxy]methyl]-6-methoxypyridine
CID 63985703
(1R)-1-[5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]ethanamine
CID 63992927
5-bromo-2-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 63984897
[3-fluoro-2-[(6-methoxy-2-pyridinyl)methoxy]phenyl]methanol
CID 112613122
2-chloro-4-[(6-methoxy-2-pyridinyl)methoxy]aniline
CID 63992724

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine?
The IUPAC name of 2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine (CID 107745738) is 2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine.
What is the SMILES notation for 2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine?
The canonical SMILES for 2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine is COc1cccc(COc2c(Br)cc(CBr)cc2Br)n1.
What is the InChIKey of 2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine?
The InChIKey is AOSWABBSDYCUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3NO2/c1-19-13-4-2-3-10(18-13)8-20-14-11(16)5-9(7-15)6-12(14)17/h2-6H,7-8H2,1H3.
What are the key properties of 2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine?
2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine has a molecular weight of 465.97 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dibromo-4-(bromomethyl)phenoxy]methyl]-6-methoxypyridine is sourced from PubChem (CID 107745738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).