2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine

C19H21NS — CID 91230054

IUPAC2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine
SMILESCCc1nc(-c2sc3ccccc3c2C)c(C)c(C)c1C
InChIInChI=1S/C19H21NS/c1-6-16-12(3)11(2)13(4)18(20-16)19-14(5)15-9-7-8-10-17(15)21-19/h7-10H,6H2,1-5H3
InChIKeyJMEMNJDDKPOBCU-UHFFFAOYSA-N
MW295.45 g/mol
LogP5.76
Rot. Bonds2

About 2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine

2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine (PubChem CID 91230054) has the molecular formula C19H21NS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine
PubChem CID91230054
Molecular FormulaC19H21NS
Molecular Weight295.45 g/mol
Exact Mass295.14
IUPAC Name2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine
SMILESCCc1nc(-c2sc3ccccc3c2C)c(C)c(C)c1C
InChIInChI=1S/C19H21NS/c1-6-16-12(3)11(2)13(4)18(20-16)19-14(5)15-9-7-8-10-17(15)21-19/h7-10H,6H2,1-5H3
InChIKeyJMEMNJDDKPOBCU-UHFFFAOYSA-N
XLogP5.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methyl-1-benzothiophen-2-yl)pyridine
CID 58084654
2-(3-methyl-1-benzothiophen-2-yl)quinoxaline
CID 14099248
CID 123801597
CID 123801597
2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine
CID 55222097
2-ethyl-4-methyl-[1]benzothiolo[3,2-d]pyrimidine
CID 144594588
6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine
CID 155778424
(3-methyl-1-benzothiophen-2-yl)methanamine
CID 67504872
5-(3-methyl-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 16643878
8-ethyl-2-(3-methyl-1-benzothiophen-2-yl)-5-nitrosoquinoline-4-carboxylic acid
CID 166690718
7-(4-tert-butylnaphthalen-2-yl)-3-methyl-2-(3-methyl-1-benzothiophen-2-yl)thieno[2,3-c]pyridine
CID 165172664
2-methyl-[1]benzothiolo[3,2-b]pyridine
CID 15441450
2-bromo-3-methyl-5-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene
CID 163803918

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine?
The IUPAC name of 2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine (CID 91230054) is 2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine.
What is the SMILES notation for 2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine?
The canonical SMILES for 2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine is CCc1nc(-c2sc3ccccc3c2C)c(C)c(C)c1C.
What is the InChIKey of 2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine?
The InChIKey is JMEMNJDDKPOBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NS/c1-6-16-12(3)11(2)13(4)18(20-16)19-14(5)15-9-7-8-10-17(15)21-19/h7-10H,6H2,1-5H3.
What are the key properties of 2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine?
2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine has a molecular weight of 295.45 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,5-trimethyl-6-(3-methyl-1-benzothiophen-2-yl)pyridine is sourced from PubChem (CID 91230054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).