2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine

C17H15NOS — CID 162658063

IUPAC2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine
SMILESCOc1ccc(C(c2ccccn2)c2cccs2)cc1
InChIInChI=1S/C17H15NOS/c1-19-14-9-7-13(8-10-14)17(16-6-4-12-20-16)15-5-2-3-11-18-15/h2-12,17H,1H3
InChIKeyXYWLACIFIFTVPK-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.33
Rot. Bonds4

About 2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine

2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine (PubChem CID 162658063) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine
PubChem CID162658063
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine
SMILESCOc1ccc(C(c2ccccn2)c2cccs2)cc1
InChIInChI=1S/C17H15NOS/c1-19-14-9-7-13(8-10-14)17(16-6-4-12-20-16)15-5-2-3-11-18-15/h2-12,17H,1H3
InChIKeyXYWLACIFIFTVPK-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine?
The IUPAC name of 2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine (CID 162658063) is 2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine.
What is the SMILES notation for 2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine?
The canonical SMILES for 2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine is COc1ccc(C(c2ccccn2)c2cccs2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine?
The InChIKey is XYWLACIFIFTVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-19-14-9-7-13(8-10-14)17(16-6-4-12-20-16)15-5-2-3-11-18-15/h2-12,17H,1H3.
What are the key properties of 2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine?
2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine has a molecular weight of 281.38 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)-thiophen-2-ylmethyl]pyridine is sourced from PubChem (CID 162658063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).