thieno[2,3-b]pyridine-5-carbonitrile

C8H4N2S — CID 594698

IUPACthieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2sccc2c1
InChIInChI=1S/C8H4N2S/c9-4-6-3-7-1-2-11-8(7)10-5-6/h1-3,5H
InChIKeyIOVJNINZHOJSDD-UHFFFAOYSA-N
MW160.20 g/mol
LogP2.17
Rot. Bonds

About thieno[2,3-b]pyridine-5-carbonitrile

thieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 594698) has the molecular formula C8H4N2S and a molecular weight of 160.20 g/mol. Its IUPAC name is thieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Namethieno[2,3-b]pyridine-5-carbonitrile
PubChem CID594698
Molecular FormulaC8H4N2S
Molecular Weight160.20 g/mol
Exact Mass160.01
IUPAC Namethieno[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2sccc2c1
InChIInChI=1S/C8H4N2S/c9-4-6-3-7-1-2-11-8(7)10-5-6/h1-3,5H
InChIKeyIOVJNINZHOJSDD-UHFFFAOYSA-N
XLogP2.17
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of thieno[2,3-b]pyridine-5-carbonitrile (CID 594698) is thieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for thieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for thieno[2,3-b]pyridine-5-carbonitrile is N#Cc1cnc2sccc2c1.
What is the InChIKey of thieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is IOVJNINZHOJSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2S/c9-4-6-3-7-1-2-11-8(7)10-5-6/h1-3,5H.
What are the key properties of thieno[2,3-b]pyridine-5-carbonitrile?
thieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 160.20 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 594698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).