5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine

C12H9BrCl2FN3O — CID 21111477

IUPAC5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
SMILESCC(Oc1nc(Br)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C12H9BrCl2FN3O/c1-5(9-6(14)2-3-7(16)10(9)15)20-12-11(17)18-4-8(13)19-12/h2-5H,1H3,(H2,17,18)
InChIKeyCPHQTOFPAKOGJL-UHFFFAOYSA-N
MW381.03 g/mol
LogP4.41
Rot. Bonds3

About 5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine

5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine (PubChem CID 21111477) has the molecular formula C12H9BrCl2FN3O and a molecular weight of 381.03 g/mol. Its IUPAC name is 5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
PubChem CID21111477
Molecular FormulaC12H9BrCl2FN3O
Molecular Weight381.03 g/mol
Exact Mass378.93
IUPAC Name5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine
SMILESCC(Oc1nc(Br)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C12H9BrCl2FN3O/c1-5(9-6(14)2-3-7(16)10(9)15)20-12-11(17)18-4-8(13)19-12/h2-5H,1H3,(H2,17,18)
InChIKeyCPHQTOFPAKOGJL-UHFFFAOYSA-N
XLogP4.41
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.03
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
The IUPAC name of 5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine (CID 21111477) is 5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
The canonical SMILES for 5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine is CC(Oc1nc(Br)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
The InChIKey is CPHQTOFPAKOGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2FN3O/c1-5(9-6(14)2-3-7(16)10(9)15)20-12-11(17)18-4-8(13)19-12/h2-5H,1H3,(H2,17,18).
What are the key properties of 5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine?
5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine has a molecular weight of 381.03 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyrazin-2-amine is sourced from PubChem (CID 21111477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).