2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine

C17H15NOS — CID 101456124

IUPAC2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine
SMILESCCOc1ccccc1-c1ccsc1-c1ccccn1
InChIInChI=1S/C17H15NOS/c1-2-19-16-9-4-3-7-13(16)14-10-12-20-17(14)15-8-5-6-11-18-15/h3-12H,2H2,1H3
InChIKeyYVTCJBVLLPTAOL-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.88
Rot. Bonds4

About 2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine

2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine (PubChem CID 101456124) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine
PubChem CID101456124
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine
SMILESCCOc1ccccc1-c1ccsc1-c1ccccn1
InChIInChI=1S/C17H15NOS/c1-2-19-16-9-4-3-7-13(16)14-10-12-20-17(14)15-8-5-6-11-18-15/h3-12H,2H2,1H3
InChIKeyYVTCJBVLLPTAOL-UHFFFAOYSA-N
XLogP4.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine?
The IUPAC name of 2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine (CID 101456124) is 2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine.
What is the SMILES notation for 2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine?
The canonical SMILES for 2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine is CCOc1ccccc1-c1ccsc1-c1ccccn1.
What is the InChIKey of 2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine?
The InChIKey is YVTCJBVLLPTAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-2-19-16-9-4-3-7-13(16)14-10-12-20-17(14)15-8-5-6-11-18-15/h3-12H,2H2,1H3.
What are the key properties of 2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine?
2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine has a molecular weight of 281.38 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxyphenyl)thiophen-2-yl]pyridine is sourced from PubChem (CID 101456124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).