2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine

C20H13NOS — CID 170112879

IUPAC2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine
SMILESCc1ccc2c(sc3c4ccccc4oc23)c1-c1ccccn1
InChIInChI=1S/C20H13NOS/c1-12-9-10-14-18-20(13-6-2-3-8-16(13)22-18)23-19(14)17(12)15-7-4-5-11-21-15/h2-11H,1H3
InChIKeyGKBCLSINHIWOMI-UHFFFAOYSA-N
MW315.40 g/mol
LogP6.17
Rot. Bonds1

About 2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine

2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine (PubChem CID 170112879) has the molecular formula C20H13NOS and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine.

Molecular Properties

Compound Name2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine
PubChem CID170112879
Molecular FormulaC20H13NOS
Molecular Weight315.40 g/mol
Exact Mass315.07
IUPAC Name2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine
SMILESCc1ccc2c(sc3c4ccccc4oc23)c1-c1ccccn1
InChIInChI=1S/C20H13NOS/c1-12-9-10-14-18-20(13-6-2-3-8-16(13)22-18)23-19(14)17(12)15-7-4-5-11-21-15/h2-11H,1H3
InChIKeyGKBCLSINHIWOMI-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-(3-methyldibenzofuran-4-yl)pyridine
CID 118074682
1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium
CID 164798219
2-dibenzofuran-4-ylpyridine
CID 59500175
1-methyl-2-(2-methyl-[1]benzofuro[3,2-b][1]benzofuran-1-yl)pyrimidin-1-ium
CID 140828050
2-(3-ethenyl-6-methyldibenzofuran-4-yl)pyridine
CID 144831188
2-(2-propan-2-yldibenzofuran-4-yl)pyridine
CID 156686806
3-fluoro-7-methyl-8-pyridin-2-yldibenzofuran-4-carbonitrile
CID 170250753
2-(3-methyl-[1]benzofuro[2,3-b][1]benzofuran-4-yl)pyrazine
CID 170112950
2-(2-methyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine
CID 168829634
2-(3,12,12-trimethylfluoreno[2,1-b][1]benzofuran-4-yl)pyridine
CID 121342988
2-(1,2-dimethyl-[1]benzothiolo[5,6-b][1]benzofuran-8-yl)pyridine
CID 168829551
bis(21-pyridin-2-yl-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-ol);zinc
CID 153291339

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine?
The IUPAC name of 2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine (CID 170112879) is 2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine.
What is the SMILES notation for 2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine?
The canonical SMILES for 2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine is Cc1ccc2c(sc3c4ccccc4oc23)c1-c1ccccn1.
What is the InChIKey of 2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine?
The InChIKey is GKBCLSINHIWOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NOS/c1-12-9-10-14-18-20(13-6-2-3-8-16(13)22-18)23-19(14)17(12)15-7-4-5-11-21-15/h2-11H,1H3.
What are the key properties of 2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine?
2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-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[3,2-b][1]benzofuran-1-yl)pyridine is sourced from PubChem (CID 170112879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).