5-bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine

C12H10BrClFN3O — CID 87410788

IUPAC5-bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine
SMILESCC(Oc1nc(Br)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C12H10BrClFN3O/c1-6(8-4-7(15)2-3-9(8)14)19-12-11(16)17-5-10(13)18-12/h2-6H,1H3,(H2,16,17)
InChIKeyOHECZAIIWVVOQD-UHFFFAOYSA-N
MW346.59 g/mol
LogP3.75
Rot. Bonds3

About 5-bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine

5-bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine (PubChem CID 87410788) has the molecular formula C12H10BrClFN3O and a molecular weight of 346.59 g/mol. Its IUPAC name is 5-bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine
PubChem CID87410788
Molecular FormulaC12H10BrClFN3O
Molecular Weight346.59 g/mol
Exact Mass344.97
IUPAC Name5-bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine
SMILESCC(Oc1nc(Br)cnc1N)c1cc(F)ccc1Cl
InChIInChI=1S/C12H10BrClFN3O/c1-6(8-4-7(15)2-3-9(8)14)19-12-11(16)17-5-10(13)18-12/h2-6H,1H3,(H2,16,17)
InChIKeyOHECZAIIWVVOQD-UHFFFAOYSA-N
XLogP3.75
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.59
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine?
The IUPAC name of 5-bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine (CID 87410788) is 5-bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine?
The canonical SMILES for 5-bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine is CC(Oc1nc(Br)cnc1N)c1cc(F)ccc1Cl.
What is the InChIKey of 5-bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine?
The InChIKey is OHECZAIIWVVOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3O/c1-6(8-4-7(15)2-3-9(8)14)19-12-11(16)17-5-10(13)18-12/h2-6H,1H3,(H2,16,17).
What are the key properties of 5-bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine?
5-bromo-3-[1-(2-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine has a molecular weight of 346.59 g/mol, XLogP of 3.75, 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-chloro-5-fluorophenyl)ethoxy]pyrazin-2-amine is sourced from PubChem (CID 87410788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).