2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid

C7H3ClN2O2S — CID 86680166

IUPAC2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(Cl)cnc2s1
InChIInChI=1S/C7H3ClN2O2S/c8-5-2-9-6-3(10-5)1-4(13-6)7(11)12/h1-2H,(H,11,12)
InChIKeyMGRFJVQIOLYZDK-UHFFFAOYSA-N
MW214.63 g/mol
LogP2.04
Rot. Bonds1

About 2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid

2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 86680166) has the molecular formula C7H3ClN2O2S and a molecular weight of 214.63 g/mol. Its IUPAC name is 2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid
PubChem CID86680166
Molecular FormulaC7H3ClN2O2S
Molecular Weight214.63 g/mol
Exact Mass213.96
IUPAC Name2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid
SMILESO=C(O)c1cc2nc(Cl)cnc2s1
InChIInChI=1S/C7H3ClN2O2S/c8-5-2-9-6-3(10-5)1-4(13-6)7(11)12/h1-2H,(H,11,12)
InChIKeyMGRFJVQIOLYZDK-UHFFFAOYSA-N
XLogP2.04
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.63
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid (CID 86680166) is 2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid is O=C(O)c1cc2nc(Cl)cnc2s1.
What is the InChIKey of 2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is MGRFJVQIOLYZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O2S/c8-5-2-9-6-3(10-5)1-4(13-6)7(11)12/h1-2H,(H,11,12).
What are the key properties of 2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid?
2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 214.63 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorothieno[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 86680166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).