3-ethyl-5-(3-methylthiophen-2-yl)pyridine

C12H13NS — CID 70823794

IUPAC3-ethyl-5-(3-methylthiophen-2-yl)pyridine
SMILESCCc1cncc(-c2sccc2C)c1
InChIInChI=1S/C12H13NS/c1-3-10-6-11(8-13-7-10)12-9(2)4-5-14-12/h4-8H,3H2,1-2H3
InChIKeyDRAGTOVRYDSRRV-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.68
Rot. Bonds2

About 3-ethyl-5-(3-methylthiophen-2-yl)pyridine

3-ethyl-5-(3-methylthiophen-2-yl)pyridine (PubChem CID 70823794) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-ethyl-5-(3-methylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name3-ethyl-5-(3-methylthiophen-2-yl)pyridine
PubChem CID70823794
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name3-ethyl-5-(3-methylthiophen-2-yl)pyridine
SMILESCCc1cncc(-c2sccc2C)c1
InChIInChI=1S/C12H13NS/c1-3-10-6-11(8-13-7-10)12-9(2)4-5-14-12/h4-8H,3H2,1-2H3
InChIKeyDRAGTOVRYDSRRV-UHFFFAOYSA-N
XLogP3.68
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-methylthiophen-2-yl)pyridine?
The IUPAC name of 3-ethyl-5-(3-methylthiophen-2-yl)pyridine (CID 70823794) is 3-ethyl-5-(3-methylthiophen-2-yl)pyridine.
What is the SMILES notation for 3-ethyl-5-(3-methylthiophen-2-yl)pyridine?
The canonical SMILES for 3-ethyl-5-(3-methylthiophen-2-yl)pyridine is CCc1cncc(-c2sccc2C)c1.
What is the InChIKey of 3-ethyl-5-(3-methylthiophen-2-yl)pyridine?
The InChIKey is DRAGTOVRYDSRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-3-10-6-11(8-13-7-10)12-9(2)4-5-14-12/h4-8H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-(3-methylthiophen-2-yl)pyridine?
3-ethyl-5-(3-methylthiophen-2-yl)pyridine has a molecular weight of 203.31 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-methylthiophen-2-yl)pyridine is sourced from PubChem (CID 70823794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).