5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine

C14H12BrCl2NO2 — CID 104799223

IUPAC5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine
SMILESCOc1cc(Cl)cc(CCl)c1OCc1ccc(Br)cn1
InChIInChI=1S/C14H12BrCl2NO2/c1-19-13-5-11(17)4-9(6-16)14(13)20-8-12-3-2-10(15)7-18-12/h2-5,7H,6,8H2,1H3
InChIKeyDZIUFFNWYGOXGR-UHFFFAOYSA-N
MW377.07 g/mol
LogP4.82
Rot. Bonds5

About 5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine

5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine (PubChem CID 104799223) has the molecular formula C14H12BrCl2NO2 and a molecular weight of 377.07 g/mol. Its IUPAC name is 5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine
PubChem CID104799223
Molecular FormulaC14H12BrCl2NO2
Molecular Weight377.07 g/mol
Exact Mass374.94
IUPAC Name5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine
SMILESCOc1cc(Cl)cc(CCl)c1OCc1ccc(Br)cn1
InChIInChI=1S/C14H12BrCl2NO2/c1-19-13-5-11(17)4-9(6-16)14(13)20-8-12-3-2-10(15)7-18-12/h2-5,7H,6,8H2,1H3
InChIKeyDZIUFFNWYGOXGR-UHFFFAOYSA-N
XLogP4.82
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.07
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine
CID 104799100
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chloro-1-(chloromethyl)-3-methoxybenzene
CID 104666298
2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
CID 104666335
5-chloro-1-(chloromethyl)-2-[(3,4-dimethylphenyl)methoxy]-3-methoxybenzene
CID 104666195
5-bromo-2-[[2-(bromomethyl)-6-methoxyphenoxy]methyl]pyridine
CID 113454492
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine
CID 104796203
5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene
CID 107306943
1-[2-[(5-bromo-2-pyridinyl)methoxy]-5-chlorophenyl]-N-methylmethanamine
CID 104796118
4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]benzonitrile
CID 104666290
4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-1-ethylpyrazole
CID 104666304
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
5-chloro-1-(chloromethyl)-3-methoxy-2-(2,2,2-trifluoroethoxy)benzene
CID 104666188

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine?
The IUPAC name of 5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine (CID 104799223) is 5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine.
What is the SMILES notation for 5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine?
The canonical SMILES for 5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine is COc1cc(Cl)cc(CCl)c1OCc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine?
The InChIKey is DZIUFFNWYGOXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO2/c1-19-13-5-11(17)4-9(6-16)14(13)20-8-12-3-2-10(15)7-18-12/h2-5,7H,6,8H2,1H3.
What are the key properties of 5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine?
5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine has a molecular weight of 377.07 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine is sourced from PubChem (CID 104799223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).