2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine

C14H12BrCl2NO2 — CID 44620895

IUPAC2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine
SMILESCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Br)n1
InChIInChI=1S/C14H12BrCl2NO2/c1-9-2-4-13(14(15)18-9)20-7-6-19-12-5-3-10(16)8-11(12)17/h2-5,8H,6-7H2,1H3
InChIKeyAGOUWTBVEAKQIJ-UHFFFAOYSA-N
MW377.07 g/mol
LogP4.92
Rot. Bonds5

About 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine

2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine (PubChem CID 44620895) has the molecular formula C14H12BrCl2NO2 and a molecular weight of 377.07 g/mol. Its IUPAC name is 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine.

Molecular Properties

Compound Name2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine
PubChem CID44620895
Molecular FormulaC14H12BrCl2NO2
Molecular Weight377.07 g/mol
Exact Mass374.94
IUPAC Name2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine
SMILESCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Br)n1
InChIInChI=1S/C14H12BrCl2NO2/c1-9-2-4-13(14(15)18-9)20-7-6-19-12-5-3-10(16)8-11(12)17/h2-5,8H,6-7H2,1H3
InChIKeyAGOUWTBVEAKQIJ-UHFFFAOYSA-N
XLogP4.92
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 ≤ 54.92
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine?
The IUPAC name of 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine (CID 44620895) is 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine.
What is the SMILES notation for 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine?
The canonical SMILES for 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine is Cc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Br)n1.
What is the InChIKey of 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine?
The InChIKey is AGOUWTBVEAKQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO2/c1-9-2-4-13(14(15)18-9)20-7-6-19-12-5-3-10(16)8-11(12)17/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine?
2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine has a molecular weight of 377.07 g/mol, XLogP of 4.92, 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-(2,4-dichlorophenoxy)ethoxy]-6-methylpyridine is sourced from PubChem (CID 44620895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).