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

C13H9BrCl2FNO2 — CID 57393538

IUPAC2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-fluoropyridine
SMILESFc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Br)n1
InChIInChI=1S/C13H9BrCl2FNO2/c14-13-11(3-4-12(17)18-13)20-6-5-19-10-2-1-8(15)7-9(10)16/h1-4,7H,5-6H2
InChIKeyWTYVZKFICJPHQD-UHFFFAOYSA-N
MW381.03 g/mol
LogP4.75
Rot. Bonds5

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

2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-fluoropyridine (PubChem CID 57393538) has the molecular formula C13H9BrCl2FNO2 and a molecular weight of 381.03 g/mol. Its IUPAC name is 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-fluoropyridine.

Molecular Properties

Compound Name2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-fluoropyridine
PubChem CID57393538
Molecular FormulaC13H9BrCl2FNO2
Molecular Weight381.03 g/mol
Exact Mass378.92
IUPAC Name2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-fluoropyridine
SMILESFc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Br)n1
InChIInChI=1S/C13H9BrCl2FNO2/c14-13-11(3-4-12(17)18-13)20-6-5-19-10-2-1-8(15)7-9(10)16/h1-4,7H,5-6H2
InChIKeyWTYVZKFICJPHQD-UHFFFAOYSA-N
XLogP4.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.03
LogP ≤ 54.75
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'}

Analyze 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-fluoropyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-fluoropyridine?
The IUPAC name of 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-fluoropyridine (CID 57393538) is 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-fluoropyridine.
What is the SMILES notation for 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-fluoropyridine?
The canonical SMILES for 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-fluoropyridine is Fc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Br)n1.
What is the InChIKey of 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-fluoropyridine?
The InChIKey is WTYVZKFICJPHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrCl2FNO2/c14-13-11(3-4-12(17)18-13)20-6-5-19-10-2-1-8(15)7-9(10)16/h1-4,7H,5-6H2.
What are the key properties of 2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-fluoropyridine?
2-bromo-3-[2-(2,4-dichlorophenoxy)ethoxy]-6-fluoropyridine has a molecular weight of 381.03 g/mol, XLogP of 4.75, 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-fluoropyridine is sourced from PubChem (CID 57393538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).