4-thieno[2,3-b]pyridin-4-ylbenzonitrile

C14H8N2S — CID 132554240

IUPAC4-thieno[2,3-b]pyridin-4-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccnc3sccc23)cc1
InChIInChI=1S/C14H8N2S/c15-9-10-1-3-11(4-2-10)12-5-7-16-14-13(12)6-8-17-14/h1-8H
InChIKeyJPTJWSNBARREOD-UHFFFAOYSA-N
MW236.30 g/mol
LogP3.83
Rot. Bonds1

About 4-thieno[2,3-b]pyridin-4-ylbenzonitrile

4-thieno[2,3-b]pyridin-4-ylbenzonitrile (PubChem CID 132554240) has the molecular formula C14H8N2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-thieno[2,3-b]pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name4-thieno[2,3-b]pyridin-4-ylbenzonitrile
PubChem CID132554240
Molecular FormulaC14H8N2S
Molecular Weight236.30 g/mol
Exact Mass236.04
IUPAC Name4-thieno[2,3-b]pyridin-4-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccnc3sccc23)cc1
InChIInChI=1S/C14H8N2S/c15-9-10-1-3-11(4-2-10)12-5-7-16-14-13(12)6-8-17-14/h1-8H
InChIKeyJPTJWSNBARREOD-UHFFFAOYSA-N
XLogP3.83
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-thieno[2,3-b]pyridin-4-ylbenzonitrile?
The IUPAC name of 4-thieno[2,3-b]pyridin-4-ylbenzonitrile (CID 132554240) is 4-thieno[2,3-b]pyridin-4-ylbenzonitrile.
What is the SMILES notation for 4-thieno[2,3-b]pyridin-4-ylbenzonitrile?
The canonical SMILES for 4-thieno[2,3-b]pyridin-4-ylbenzonitrile is N#Cc1ccc(-c2ccnc3sccc23)cc1.
What is the InChIKey of 4-thieno[2,3-b]pyridin-4-ylbenzonitrile?
The InChIKey is JPTJWSNBARREOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2S/c15-9-10-1-3-11(4-2-10)12-5-7-16-14-13(12)6-8-17-14/h1-8H.
What are the key properties of 4-thieno[2,3-b]pyridin-4-ylbenzonitrile?
4-thieno[2,3-b]pyridin-4-ylbenzonitrile has a molecular weight of 236.30 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thieno[2,3-b]pyridin-4-ylbenzonitrile is sourced from PubChem (CID 132554240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).