2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine

C21H15NOS — CID 168829551

IUPAC2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine
SMILESCc1sc2cc3c(cc2c1C)oc1c(-c2ccccn2)cccc13
InChIInChI=1S/C21H15NOS/c1-12-13(2)24-20-11-17-14-6-5-7-15(18-8-3-4-9-22-18)21(14)23-19(17)10-16(12)20/h3-11H,1-2H3
InChIKeyQBDKWQHRGYPFPG-UHFFFAOYSA-N
MW329.42 g/mol
LogP6.48
Rot. Bonds1

About 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine

2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine (PubChem CID 168829551) has the molecular formula C21H15NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine.

Molecular Properties

Compound Name2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine
PubChem CID168829551
Molecular FormulaC21H15NOS
Molecular Weight329.42 g/mol
Exact Mass329.09
IUPAC Name2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine
SMILESCc1sc2cc3c(cc2c1C)oc1c(-c2ccccn2)cccc13
InChIInChI=1S/C21H15NOS/c1-12-13(2)24-20-11-17-14-6-5-7-15(18-8-3-4-9-22-18)21(14)23-19(17)10-16(12)20/h3-11H,1-2H3
InChIKeyQBDKWQHRGYPFPG-UHFFFAOYSA-N
XLogP6.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine
CID 168829951
2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine
CID 168829634
2-dibenzofuran-4-ylpyridine
CID 59500175
4-pyridin-2-ylxanthen-9-one
CID 167260109
2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
CID 162708063
2-(2,3-dimethyl-[1]benzothiolo[7,6-b][1]benzofuran-9-yl)-4,5-dimethylpyridine
CID 168829258
3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline
CID 172522612
1-(6-dibenzofuran-4-yl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
CID 140902322
10-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-f]isoquinoline
CID 172522593
3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine
CID 170531478
8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine
CID 171721165
2-(2,6-dimethyldibenzofuran-4-yl)pyridine
CID 156686870

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine?
The IUPAC name of 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine (CID 168829551) is 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine.
What is the SMILES notation for 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine?
The canonical SMILES for 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine is Cc1sc2cc3c(cc2c1C)oc1c(-c2ccccn2)cccc13.
What is the InChIKey of 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine?
The InChIKey is QBDKWQHRGYPFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS/c1-12-13(2)24-20-11-17-14-6-5-7-15(18-8-3-4-9-22-18)21(14)23-19(17)10-16(12)20/h3-11H,1-2H3.
What are the key properties of 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine?
2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine has a molecular weight of 329.42 g/mol, XLogP of 6.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine is sourced from PubChem (CID 168829551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).