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

C20H13NOS — CID 168829634

IUPAC2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine
SMILESCc1cc2cc3oc4c(-c5ccccn5)cccc4c3cc2s1
InChIInChI=1S/C20H13NOS/c1-12-9-13-10-18-16(11-19(13)23-12)14-5-4-6-15(20(14)22-18)17-7-2-3-8-21-17/h2-11H,1H3
InChIKeyURRUGTCVSQADFD-UHFFFAOYSA-N
MW315.40 g/mol
LogP6.17
Rot. Bonds1

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

2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine (PubChem CID 168829634) has the molecular formula C20H13NOS and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine.

Molecular Properties

Compound Name2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine
PubChem CID168829634
Molecular FormulaC20H13NOS
Molecular Weight315.40 g/mol
Exact Mass315.07
IUPAC Name2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine
SMILESCc1cc2cc3oc4c(-c5ccccn5)cccc4c3cc2s1
InChIInChI=1S/C20H13NOS/c1-12-9-13-10-18-16(11-19(13)23-12)14-5-4-6-15(20(14)22-18)17-7-2-3-8-21-17/h2-11H,1H3
InChIKeyURRUGTCVSQADFD-UHFFFAOYSA-N
XLogP6.17
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.40
LogP ≤ 56.17
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)pyridine
CID 168829551
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(2-methyl-[1]benzothiolo[6,5-b][1]benzofuran-8-yl)pyridine
CID 168829154
2-dibenzofuran-4-ylpyridine
CID 59500175
1-(6-dibenzofuran-4-yl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
CID 140902322
2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)-5-methylpyridine
CID 168829951
4-pyridin-2-ylxanthen-9-one
CID 167260109
3-methyl-10-pyridin-2-yl-[1]benzofuro[3,2-h]isoquinoline
CID 172522612
4,5-dimethyl-2-(2-methyl-[1]benzothiolo[6,7-b][1]benzofuran-7-yl)pyridine
CID 168829555
2-([1]benzothiolo[5,6-b][1]benzofuran-8-yl)-4-(2,2-dimethylpropyl)pyridine
CID 168829416
2-[7-[dideuterio(phenyl)methyl]dibenzofuran-4-yl]pyridine
CID 162708063
4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyrimidine
CID 155078239
8-pyridin-2-yl-4-(trideuteriomethyl)-[1]benzofuro[2,3-c]pyridine
CID 171721165

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine?
The IUPAC name of 2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine (CID 168829634) is 2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine.
What is the SMILES notation for 2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine?
The canonical SMILES for 2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine is Cc1cc2cc3oc4c(-c5ccccn5)cccc4c3cc2s1.
What is the InChIKey of 2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine?
The InChIKey is URRUGTCVSQADFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NOS/c1-12-9-13-10-18-16(11-19(13)23-12)14-5-4-6-15(20(14)22-18)17-7-2-3-8-21-17/h2-11H,1H3.
What are the key properties of 2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine?
2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine has a molecular weight of 315.40 g/mol, XLogP of 6.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine is sourced from PubChem (CID 168829634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).