[2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate

C11H7BrN2O3S — CID 7985807

IUPAC[2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(OCC(=O)c1ccc(Br)s1)c1cnccn1
InChIInChI=1S/C11H7BrN2O3S/c12-10-2-1-9(18-10)8(15)6-17-11(16)7-5-13-3-4-14-7/h1-5H,6H2
InChIKeyUKQZZHPQNALMIU-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.34
Rot. Bonds4

About [2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate

[2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate (PubChem CID 7985807) has the molecular formula C11H7BrN2O3S and a molecular weight of 327.16 g/mol. Its IUPAC name is [2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate
PubChem CID7985807
Molecular FormulaC11H7BrN2O3S
Molecular Weight327.16 g/mol
Exact Mass325.94
IUPAC Name[2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate
SMILESO=C(OCC(=O)c1ccc(Br)s1)c1cnccn1
InChIInChI=1S/C11H7BrN2O3S/c12-10-2-1-9(18-10)8(15)6-17-11(16)7-5-13-3-4-14-7/h1-5H,6H2
InChIKeyUKQZZHPQNALMIU-UHFFFAOYSA-N
XLogP2.34
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-Bromothiophen-2-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2645859
[2-(5-Methylthiophen-2-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 8254583
[2-(5-Chlorothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 2630084
[2-(5-Chlorothiophen-2-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2359441
(2-Oxo-2-thiophen-2-ylethyl) 3-aminopyrazine-2-carboxylate
CID 2566154
[2-(2,5-Dimethylthiophen-3-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 7604217
[2-(2,5-Dimethylthiophen-3-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 7604269
(2-Oxo-2-thiophen-2-ylethyl) 5-methylpyrazine-2-carboxylate
CID 7950219
(2-Oxo-2-thiophen-2-ylethyl) pyrazine-2-carboxylate
CID 7985805
[2-(5-Methylthiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate
CID 8254059

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate (CID 7985807) is [2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate is O=C(OCC(=O)c1ccc(Br)s1)c1cnccn1.
What is the InChIKey of [2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate?
The InChIKey is UKQZZHPQNALMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3S/c12-10-2-1-9(18-10)8(15)6-17-11(16)7-5-13-3-4-14-7/h1-5H,6H2.
What are the key properties of [2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate?
[2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate has a molecular weight of 327.16 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromothiophen-2-yl)-2-oxoethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 7985807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).