7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine

C22H12N2OS — CID 134387506

IUPAC7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc2c(c1)sc1nc(-c3ccc4c(c3)oc3ncccc34)ccc12
InChIInChI=1S/C22H12N2OS/c1-2-6-20-15(4-1)17-9-10-18(24-22(17)26-20)13-7-8-14-16-5-3-11-23-21(16)25-19(14)12-13/h1-12H
InChIKeyQYTYVPAXWDCAKV-UHFFFAOYSA-N
MW352.42 g/mol
LogP6.41
Rot. Bonds1

About 7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine

7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 134387506) has the molecular formula C22H12N2OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID134387506
Molecular FormulaC22H12N2OS
Molecular Weight352.42 g/mol
Exact Mass352.07
IUPAC Name7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc2c(c1)sc1nc(-c3ccc4c(c3)oc3ncccc34)ccc12
InChIInChI=1S/C22H12N2OS/c1-2-6-20-15(4-1)17-9-10-18(24-22(17)26-20)13-7-8-14-16-5-3-11-23-21(16)25-19(14)12-13/h1-12H
InChIKeyQYTYVPAXWDCAKV-UHFFFAOYSA-N
XLogP6.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.42
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine (CID 134387506) is 7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine is c1ccc2c(c1)sc1nc(-c3ccc4c(c3)oc3ncccc34)ccc12.
What is the InChIKey of 7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is QYTYVPAXWDCAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N2OS/c1-2-6-20-15(4-1)17-9-10-18(24-22(17)26-20)13-7-8-14-16-5-3-11-23-21(16)25-19(14)12-13/h1-12H.
What are the key properties of 7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine?
7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 352.42 g/mol, XLogP of 6.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-([1]benzothiolo[2,3-b]pyridin-2-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 134387506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).