2-chloro-6-(3-methylthiophen-2-yl)pyrazine

C9H7ClN2S — CID 79991011

IUPAC2-chloro-6-(3-methylthiophen-2-yl)pyrazine
SMILESCc1ccsc1-c1cncc(Cl)n1
InChIInChI=1S/C9H7ClN2S/c1-6-2-3-13-9(6)7-4-11-5-8(10)12-7/h2-5H,1H3
InChIKeyXMWHKLVDSZGACY-UHFFFAOYSA-N
MW210.69 g/mol
LogP3.17
Rot. Bonds1

About 2-chloro-6-(3-methylthiophen-2-yl)pyrazine

2-chloro-6-(3-methylthiophen-2-yl)pyrazine (PubChem CID 79991011) has the molecular formula C9H7ClN2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 2-chloro-6-(3-methylthiophen-2-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(3-methylthiophen-2-yl)pyrazine
PubChem CID79991011
Molecular FormulaC9H7ClN2S
Molecular Weight210.69 g/mol
Exact Mass210.00
IUPAC Name2-chloro-6-(3-methylthiophen-2-yl)pyrazine
SMILESCc1ccsc1-c1cncc(Cl)n1
InChIInChI=1S/C9H7ClN2S/c1-6-2-3-13-9(6)7-4-11-5-8(10)12-7/h2-5H,1H3
InChIKeyXMWHKLVDSZGACY-UHFFFAOYSA-N
XLogP3.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-methylthiophen-2-yl)pyrazine?
The IUPAC name of 2-chloro-6-(3-methylthiophen-2-yl)pyrazine (CID 79991011) is 2-chloro-6-(3-methylthiophen-2-yl)pyrazine.
What is the SMILES notation for 2-chloro-6-(3-methylthiophen-2-yl)pyrazine?
The canonical SMILES for 2-chloro-6-(3-methylthiophen-2-yl)pyrazine is Cc1ccsc1-c1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-(3-methylthiophen-2-yl)pyrazine?
The InChIKey is XMWHKLVDSZGACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S/c1-6-2-3-13-9(6)7-4-11-5-8(10)12-7/h2-5H,1H3.
What are the key properties of 2-chloro-6-(3-methylthiophen-2-yl)pyrazine?
2-chloro-6-(3-methylthiophen-2-yl)pyrazine has a molecular weight of 210.69 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-methylthiophen-2-yl)pyrazine is sourced from PubChem (CID 79991011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).