3-(5-methyl-1-benzothiophen-2-yl)pyridine

C14H11NS — CID 122397868

IUPAC3-(5-methyl-1-benzothiophen-2-yl)pyridine
SMILESCc1ccc2sc(-c3cccnc3)cc2c1
InChIInChI=1S/C14H11NS/c1-10-4-5-13-12(7-10)8-14(16-13)11-3-2-6-15-9-11/h2-9H,1H3
InChIKeyNPJSSNOBUYLRTA-UHFFFAOYSA-N
MW225.32 g/mol
LogP4.27
Rot. Bonds1

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

3-(5-methyl-1-benzothiophen-2-yl)pyridine (PubChem CID 122397868) has the molecular formula C14H11NS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-(5-methyl-1-benzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name3-(5-methyl-1-benzothiophen-2-yl)pyridine
PubChem CID122397868
Molecular FormulaC14H11NS
Molecular Weight225.32 g/mol
Exact Mass225.06
IUPAC Name3-(5-methyl-1-benzothiophen-2-yl)pyridine
SMILESCc1ccc2sc(-c3cccnc3)cc2c1
InChIInChI=1S/C14H11NS/c1-10-4-5-13-12(7-10)8-14(16-13)11-3-2-6-15-9-11/h2-9H,1H3
InChIKeyNPJSSNOBUYLRTA-UHFFFAOYSA-N
XLogP4.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)thieno[3,2-c]pyridine
CID 59130313
5-(5-methyl-1-benzothiophen-2-yl)pyridin-2-amine
CID 115113685
3-[(5-methyl-1-benzothiophen-2-yl)methoxy]pyridine
CID 117185338
3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
CID 102393188
2-methyl-5-pyridin-3-yl-1,3-benzothiazole
CID 24879647
3-[4-(5-methylthiophen-2-yl)phenyl]pyridine
CID 130309277
5-(5-methyl-1-benzothiophen-2-yl)-1,2-oxazol-4-amine
CID 115109627
3-[3,4-dibenzhydrylidene-2-(1-benzothiophen-2-yl)cyclobuten-1-yl]pyridine
CID 59357514
methylidenephosphane;3-(3-methylphenyl)pyridine
CID 144875841
3-[3-methyl-5-(4-methylphenyl)phenyl]pyridine
CID 130388822
CID 178024724
CID 178024724
5-pyridin-3-yl-1-benzothiophene-2-carboxylic acid
CID 59335660

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1-benzothiophen-2-yl)pyridine?
The IUPAC name of 3-(5-methyl-1-benzothiophen-2-yl)pyridine (CID 122397868) is 3-(5-methyl-1-benzothiophen-2-yl)pyridine.
What is the SMILES notation for 3-(5-methyl-1-benzothiophen-2-yl)pyridine?
The canonical SMILES for 3-(5-methyl-1-benzothiophen-2-yl)pyridine is Cc1ccc2sc(-c3cccnc3)cc2c1.
What is the InChIKey of 3-(5-methyl-1-benzothiophen-2-yl)pyridine?
The InChIKey is NPJSSNOBUYLRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS/c1-10-4-5-13-12(7-10)8-14(16-13)11-3-2-6-15-9-11/h2-9H,1H3.
What are the key properties of 3-(5-methyl-1-benzothiophen-2-yl)pyridine?
3-(5-methyl-1-benzothiophen-2-yl)pyridine has a molecular weight of 225.32 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1-benzothiophen-2-yl)pyridine is sourced from PubChem (CID 122397868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).