3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine

C15H13NOS — CID 117185338

IUPAC3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine
SMILESCc1ccc2sc(COc3cccnc3)cc2c1
InChIInChI=1S/C15H13NOS/c1-11-4-5-15-12(7-11)8-14(18-15)10-17-13-3-2-6-16-9-13/h2-9H,10H2,1H3
InChIKeyVDMWXLBNGWIVBL-UHFFFAOYSA-N
MW255.34 g/mol
LogP4.18
Rot. Bonds3

About 3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine

3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine (PubChem CID 117185338) has the molecular formula C15H13NOS and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine.

Molecular Properties

Compound Name3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine
PubChem CID117185338
Molecular FormulaC15H13NOS
Molecular Weight255.34 g/mol
Exact Mass255.07
IUPAC Name3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine
SMILESCc1ccc2sc(COc3cccnc3)cc2c1
InChIInChI=1S/C15H13NOS/c1-11-4-5-15-12(7-11)8-14(18-15)10-17-13-3-2-6-16-9-13/h2-9H,10H2,1H3
InChIKeyVDMWXLBNGWIVBL-UHFFFAOYSA-N
XLogP4.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenoxy)methyl]-5-methyl-1-benzothiophene
CID 117185334
[2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine
CID 117183170
3-(5-methyl-1-benzothiophen-2-yl)pyridine
CID 122397868
5-methyl-2-(pyridin-3-yloxymethyl)-1H-indole
CID 117185410
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
3-methyl-5-[(5-methyl-1-benzothiophen-2-yl)methoxy]-1,3-benzoxazole-2-thione
CID 146648636
3-[(2,4,6-trimethylphenyl)methoxy]pyridine
CID 112558779
dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium
CID 7172332
6-methyl-3-(pyridin-3-yloxymethyl)-1H-indole
CID 117185687
N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558300
2-(pyridin-3-yloxymethyl)-1-benzofuran-7-ol
CID 117182846
6-methyl-2-(4-methylphenyl)-3-(pyridin-3-yloxymethyl)imidazo[1,2-a]pyridine
CID 67027547

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine?
The IUPAC name of 3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine (CID 117185338) is 3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine.
What is the SMILES notation for 3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine?
The canonical SMILES for 3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine is Cc1ccc2sc(COc3cccnc3)cc2c1.
What is the InChIKey of 3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine?
The InChIKey is VDMWXLBNGWIVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOS/c1-11-4-5-15-12(7-11)8-14(18-15)10-17-13-3-2-6-16-9-13/h2-9H,10H2,1H3.
What are the key properties of 3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine?
3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine has a molecular weight of 255.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine is sourced from PubChem (CID 117185338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).