3-(5-butylthiophen-3-yl)pyridine

C13H15NS — CID 66814016

IUPAC3-(5-butylthiophen-3-yl)pyridine
SMILESCCCCc1cc(-c2cccnc2)cs1
InChIInChI=1S/C13H15NS/c1-2-3-6-13-8-12(10-15-13)11-5-4-7-14-9-11/h4-5,7-10H,2-3,6H2,1H3
InChIKeySLFLYTXSGFLTIC-UHFFFAOYSA-N
MW217.34 g/mol
LogP4.15
Rot. Bonds4

About 3-(5-butylthiophen-3-yl)pyridine

3-(5-butylthiophen-3-yl)pyridine (PubChem CID 66814016) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 3-(5-butylthiophen-3-yl)pyridine.

Molecular Properties

Compound Name3-(5-butylthiophen-3-yl)pyridine
PubChem CID66814016
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name3-(5-butylthiophen-3-yl)pyridine
SMILESCCCCc1cc(-c2cccnc2)cs1
InChIInChI=1S/C13H15NS/c1-2-3-6-13-8-12(10-15-13)11-5-4-7-14-9-11/h4-5,7-10H,2-3,6H2,1H3
InChIKeySLFLYTXSGFLTIC-UHFFFAOYSA-N
XLogP4.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-butylthiophen-3-yl)pyridine?
The IUPAC name of 3-(5-butylthiophen-3-yl)pyridine (CID 66814016) is 3-(5-butylthiophen-3-yl)pyridine.
What is the SMILES notation for 3-(5-butylthiophen-3-yl)pyridine?
The canonical SMILES for 3-(5-butylthiophen-3-yl)pyridine is CCCCc1cc(-c2cccnc2)cs1.
What is the InChIKey of 3-(5-butylthiophen-3-yl)pyridine?
The InChIKey is SLFLYTXSGFLTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-2-3-6-13-8-12(10-15-13)11-5-4-7-14-9-11/h4-5,7-10H,2-3,6H2,1H3.
What are the key properties of 3-(5-butylthiophen-3-yl)pyridine?
3-(5-butylthiophen-3-yl)pyridine has a molecular weight of 217.34 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butylthiophen-3-yl)pyridine is sourced from PubChem (CID 66814016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).