5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile

C14H11BrN2S — CID 113238331

IUPAC5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile
SMILESN#Cc1cc(Br)ccc1N1CCc2sccc2C1
InChIInChI=1S/C14H11BrN2S/c15-12-1-2-13(11(7-12)8-16)17-5-3-14-10(9-17)4-6-18-14/h1-2,4,6-7H,3,5,9H2
InChIKeyNHWUVZMDYXBTKJ-UHFFFAOYSA-N
MW319.23 g/mol
LogP3.94
Rot. Bonds1

About 5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile

5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile (PubChem CID 113238331) has the molecular formula C14H11BrN2S and a molecular weight of 319.23 g/mol. Its IUPAC name is 5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile.

Molecular Properties

Compound Name5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile
PubChem CID113238331
Molecular FormulaC14H11BrN2S
Molecular Weight319.23 g/mol
Exact Mass317.98
IUPAC Name5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile
SMILESN#Cc1cc(Br)ccc1N1CCc2sccc2C1
InChIInChI=1S/C14H11BrN2S/c15-12-1-2-13(11(7-12)8-16)17-5-3-14-10(9-17)4-6-18-14/h1-2,4,6-7H,3,5,9H2
InChIKeyNHWUVZMDYXBTKJ-UHFFFAOYSA-N
XLogP3.94
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile?
The IUPAC name of 5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile (CID 113238331) is 5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile.
What is the SMILES notation for 5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile?
The canonical SMILES for 5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile is N#Cc1cc(Br)ccc1N1CCc2sccc2C1.
What is the InChIKey of 5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile?
The InChIKey is NHWUVZMDYXBTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2S/c15-12-1-2-13(11(7-12)8-16)17-5-3-14-10(9-17)4-6-18-14/h1-2,4,6-7H,3,5,9H2.
What are the key properties of 5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile?
5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile has a molecular weight of 319.23 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzonitrile is sourced from PubChem (CID 113238331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).