methyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate

C8H5BrN2O2S — CID 130058401

IUPACmethyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate
SMILESCOC(=O)c1sc2nccnc2c1Br
InChIInChI=1S/C8H5BrN2O2S/c1-13-8(12)6-4(9)5-7(14-6)11-3-2-10-5/h2-3H,1H3
InChIKeyPQCXNAJKICLPPA-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.24
Rot. Bonds1

About methyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate

methyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate (PubChem CID 130058401) has the molecular formula C8H5BrN2O2S and a molecular weight of 273.11 g/mol. Its IUPAC name is methyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate
PubChem CID130058401
Molecular FormulaC8H5BrN2O2S
Molecular Weight273.11 g/mol
Exact Mass271.93
IUPAC Namemethyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate
SMILESCOC(=O)c1sc2nccnc2c1Br
InChIInChI=1S/C8H5BrN2O2S/c1-13-8(12)6-4(9)5-7(14-6)11-3-2-10-5/h2-3H,1H3
InChIKeyPQCXNAJKICLPPA-UHFFFAOYSA-N
XLogP2.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate?
The IUPAC name of methyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate (CID 130058401) is methyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate.
What is the SMILES notation for methyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate?
The canonical SMILES for methyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate is COC(=O)c1sc2nccnc2c1Br.
What is the InChIKey of methyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate?
The InChIKey is PQCXNAJKICLPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O2S/c1-13-8(12)6-4(9)5-7(14-6)11-3-2-10-5/h2-3H,1H3.
What are the key properties of methyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate?
methyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate has a molecular weight of 273.11 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-bromothieno[2,3-b]pyrazine-6-carboxylate is sourced from PubChem (CID 130058401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).