3,5-bis(3-methylthiophen-2-yl)pyridine

C15H13NS2 — CID 59590437

IUPAC3,5-bis(3-methylthiophen-2-yl)pyridine
SMILESCc1ccsc1-c1cncc(-c2sccc2C)c1
InChIInChI=1S/C15H13NS2/c1-10-3-5-17-14(10)12-7-13(9-16-8-12)15-11(2)4-6-18-15/h3-9H,1-2H3
InChIKeyJHXPIHUXSJCHBP-UHFFFAOYSA-N
MW271.41 g/mol
LogP5.16
Rot. Bonds2

About 3,5-bis(3-methylthiophen-2-yl)pyridine

3,5-bis(3-methylthiophen-2-yl)pyridine (PubChem CID 59590437) has the molecular formula C15H13NS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3,5-bis(3-methylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name3,5-bis(3-methylthiophen-2-yl)pyridine
PubChem CID59590437
Molecular FormulaC15H13NS2
Molecular Weight271.41 g/mol
Exact Mass271.05
IUPAC Name3,5-bis(3-methylthiophen-2-yl)pyridine
SMILESCc1ccsc1-c1cncc(-c2sccc2C)c1
InChIInChI=1S/C15H13NS2/c1-10-3-5-17-14(10)12-7-13(9-16-8-12)15-11(2)4-6-18-15/h3-9H,1-2H3
InChIKeyJHXPIHUXSJCHBP-UHFFFAOYSA-N
XLogP5.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.41
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-methylthiophen-2-yl)pyridine?
The IUPAC name of 3,5-bis(3-methylthiophen-2-yl)pyridine (CID 59590437) is 3,5-bis(3-methylthiophen-2-yl)pyridine.
What is the SMILES notation for 3,5-bis(3-methylthiophen-2-yl)pyridine?
The canonical SMILES for 3,5-bis(3-methylthiophen-2-yl)pyridine is Cc1ccsc1-c1cncc(-c2sccc2C)c1.
What is the InChIKey of 3,5-bis(3-methylthiophen-2-yl)pyridine?
The InChIKey is JHXPIHUXSJCHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS2/c1-10-3-5-17-14(10)12-7-13(9-16-8-12)15-11(2)4-6-18-15/h3-9H,1-2H3.
What are the key properties of 3,5-bis(3-methylthiophen-2-yl)pyridine?
3,5-bis(3-methylthiophen-2-yl)pyridine has a molecular weight of 271.41 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-methylthiophen-2-yl)pyridine is sourced from PubChem (CID 59590437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).