4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile

C8H8N2S — CID 90259820

IUPAC4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1csc2c1CCNC2
InChIInChI=1S/C8H8N2S/c9-3-6-5-11-8-4-10-2-1-7(6)8/h5,10H,1-2,4H2
InChIKeyNTPGNPUZAHBRII-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.27
Rot. Bonds

About 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile

4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 90259820) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
PubChem CID90259820
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1csc2c1CCNC2
InChIInChI=1S/C8H8N2S/c9-3-6-5-11-8-4-10-2-1-7(6)8/h5,10H,1-2,4H2
InChIKeyNTPGNPUZAHBRII-UHFFFAOYSA-N
XLogP1.27
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile (CID 90259820) is 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile is N#Cc1csc2c1CCNC2.
What is the InChIKey of 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is NTPGNPUZAHBRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c9-3-6-5-11-8-4-10-2-1-7(6)8/h5,10H,1-2,4H2.
What are the key properties of 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile?
4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 164.23 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 90259820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).