5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine

C9H8Br2N2OS — CID 20660384

IUPAC5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine
SMILESCCc1nc2c(Br)sc(Br)c2nc1OC
InChIInChI=1S/C9H8Br2N2OS/c1-3-4-9(14-2)13-6-5(12-4)7(10)15-8(6)11/h3H2,1-2H3
InChIKeyUGDRTTSOZSAHHN-UHFFFAOYSA-N
MW352.05 g/mol
LogP3.79
Rot. Bonds2

About 5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine

5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine (PubChem CID 20660384) has the molecular formula C9H8Br2N2OS and a molecular weight of 352.05 g/mol. Its IUPAC name is 5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine.

Molecular Properties

Compound Name5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine
PubChem CID20660384
Molecular FormulaC9H8Br2N2OS
Molecular Weight352.05 g/mol
Exact Mass349.87
IUPAC Name5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine
SMILESCCc1nc2c(Br)sc(Br)c2nc1OC
InChIInChI=1S/C9H8Br2N2OS/c1-3-4-9(14-2)13-6-5(12-4)7(10)15-8(6)11/h3H2,1-2H3
InChIKeyUGDRTTSOZSAHHN-UHFFFAOYSA-N
XLogP3.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.05
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine?
The IUPAC name of 5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine (CID 20660384) is 5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine.
What is the SMILES notation for 5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine?
The canonical SMILES for 5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine is CCc1nc2c(Br)sc(Br)c2nc1OC.
What is the InChIKey of 5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine?
The InChIKey is UGDRTTSOZSAHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N2OS/c1-3-4-9(14-2)13-6-5(12-4)7(10)15-8(6)11/h3H2,1-2H3.
What are the key properties of 5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine?
5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine has a molecular weight of 352.05 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine is sourced from PubChem (CID 20660384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).