4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine

C18H17NS — CID 174395673

IUPAC4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine
SMILESCCc1cc(-c2cccc(-c3ccncc3)c2C)cs1
InChIInChI=1S/C18H17NS/c1-3-16-11-15(12-20-16)18-6-4-5-17(13(18)2)14-7-9-19-10-8-14/h4-12H,3H2,1-2H3
InChIKeyGIWFMCSNSIJEPL-UHFFFAOYSA-N
MW279.41 g/mol
LogP5.35
Rot. Bonds3

About 4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine

4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine (PubChem CID 174395673) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is 4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine.

Molecular Properties

Compound Name4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine
PubChem CID174395673
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC Name4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine
SMILESCCc1cc(-c2cccc(-c3ccncc3)c2C)cs1
InChIInChI=1S/C18H17NS/c1-3-16-11-15(12-20-16)18-6-4-5-17(13(18)2)14-7-9-19-10-8-14/h4-12H,3H2,1-2H3
InChIKeyGIWFMCSNSIJEPL-UHFFFAOYSA-N
XLogP5.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.41
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine?
The IUPAC name of 4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine (CID 174395673) is 4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine.
What is the SMILES notation for 4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine?
The canonical SMILES for 4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine is CCc1cc(-c2cccc(-c3ccncc3)c2C)cs1.
What is the InChIKey of 4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine?
The InChIKey is GIWFMCSNSIJEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c1-3-16-11-15(12-20-16)18-6-4-5-17(13(18)2)14-7-9-19-10-8-14/h4-12H,3H2,1-2H3.
What are the key properties of 4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine?
4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine has a molecular weight of 279.41 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-ethylthiophen-3-yl)-2-methylphenyl]pyridine is sourced from PubChem (CID 174395673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).