5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine

C12H9BrCl2FN3O — CID 87524762

IUPAC5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
SMILESNc1ncc(Br)nc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C12H9BrCl2FN3O/c13-9-5-18-11(17)12(19-9)20-4-3-6-7(14)1-2-8(16)10(6)15/h1-2,5H,3-4H2,(H2,17,18)
InChIKeyQCWWBAREDQQCAX-UHFFFAOYSA-N
MW381.03 g/mol
LogP3.89
Rot. Bonds4

About 5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine

5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine (PubChem CID 87524762) has the molecular formula C12H9BrCl2FN3O and a molecular weight of 381.03 g/mol. Its IUPAC name is 5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
PubChem CID87524762
Molecular FormulaC12H9BrCl2FN3O
Molecular Weight381.03 g/mol
Exact Mass378.93
IUPAC Name5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
SMILESNc1ncc(Br)nc1OCCc1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C12H9BrCl2FN3O/c13-9-5-18-11(17)12(19-9)20-4-3-6-7(14)1-2-8(16)10(6)15/h1-2,5H,3-4H2,(H2,17,18)
InChIKeyQCWWBAREDQQCAX-UHFFFAOYSA-N
XLogP3.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.03
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine 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 5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
The IUPAC name of 5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine (CID 87524762) is 5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
The canonical SMILES for 5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine is Nc1ncc(Br)nc1OCCc1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
The InChIKey is QCWWBAREDQQCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2FN3O/c13-9-5-18-11(17)12(19-9)20-4-3-6-7(14)1-2-8(16)10(6)15/h1-2,5H,3-4H2,(H2,17,18).
What are the key properties of 5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine has a molecular weight of 381.03 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine is sourced from PubChem (CID 87524762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).