2-chloro-5-thiophen-2-ylpyrazine

C8H5ClN2S — CID 16740536

IUPAC2-chloro-5-thiophen-2-ylpyrazine
SMILESClc1cnc(-c2cccs2)cn1
InChIInChI=1S/C8H5ClN2S/c9-8-5-10-6(4-11-8)7-2-1-3-12-7/h1-5H
InChIKeyXZYCGRPUJHTKAW-UHFFFAOYSA-N
MW196.66 g/mol
LogP2.86
Rot. Bonds1

About 2-chloro-5-thiophen-2-ylpyrazine

2-chloro-5-thiophen-2-ylpyrazine (PubChem CID 16740536) has the molecular formula C8H5ClN2S and a molecular weight of 196.66 g/mol. Its IUPAC name is 2-chloro-5-thiophen-2-ylpyrazine.

Molecular Properties

Compound Name2-chloro-5-thiophen-2-ylpyrazine
PubChem CID16740536
Molecular FormulaC8H5ClN2S
Molecular Weight196.66 g/mol
Exact Mass195.99
IUPAC Name2-chloro-5-thiophen-2-ylpyrazine
SMILESClc1cnc(-c2cccs2)cn1
InChIInChI=1S/C8H5ClN2S/c9-8-5-10-6(4-11-8)7-2-1-3-12-7/h1-5H
InChIKeyXZYCGRPUJHTKAW-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.66
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-thiophen-2-ylpyrazine?
The IUPAC name of 2-chloro-5-thiophen-2-ylpyrazine (CID 16740536) is 2-chloro-5-thiophen-2-ylpyrazine.
What is the SMILES notation for 2-chloro-5-thiophen-2-ylpyrazine?
The canonical SMILES for 2-chloro-5-thiophen-2-ylpyrazine is Clc1cnc(-c2cccs2)cn1.
What is the InChIKey of 2-chloro-5-thiophen-2-ylpyrazine?
The InChIKey is XZYCGRPUJHTKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2S/c9-8-5-10-6(4-11-8)7-2-1-3-12-7/h1-5H.
What are the key properties of 2-chloro-5-thiophen-2-ylpyrazine?
2-chloro-5-thiophen-2-ylpyrazine has a molecular weight of 196.66 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-thiophen-2-ylpyrazine is sourced from PubChem (CID 16740536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).