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

C8H9ClN2S — CID 170962538

IUPAC4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc2c(s1)CNCC2
InChIInChI=1S/C8H8N2S.ClH/c9-4-7-3-6-1-2-10-5-8(6)11-7;/h3,10H,1-2,5H2;1H
InChIKeyAEPBHCLGQJLGTQ-UHFFFAOYSA-N
MW200.69 g/mol
LogP1.69
Rot. Bonds

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

4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile;hydrochloride (PubChem CID 170962538) has the molecular formula C8H9ClN2S and a molecular weight of 200.69 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile;hydrochloride
PubChem CID170962538
Molecular FormulaC8H9ClN2S
Molecular Weight200.69 g/mol
Exact Mass200.02
IUPAC Name4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile;hydrochloride
SMILESCl.N#Cc1cc2c(s1)CNCC2
InChIInChI=1S/C8H8N2S.ClH/c9-4-7-3-6-1-2-10-5-8(6)11-7;/h3,10H,1-2,5H2;1H
InChIKeyAEPBHCLGQJLGTQ-UHFFFAOYSA-N
XLogP1.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 51.69
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-2-carbonitrile;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile;hydrochloride (CID 170962538) is 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile;hydrochloride is Cl.N#Cc1cc2c(s1)CNCC2.
What is the InChIKey of 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile;hydrochloride?
The InChIKey is AEPBHCLGQJLGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S.ClH/c9-4-7-3-6-1-2-10-5-8(6)11-7;/h3,10H,1-2,5H2;1H.
What are the key properties of 4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile;hydrochloride?
4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile;hydrochloride has a molecular weight of 200.69 g/mol, XLogP of 1.69, 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-2-carbonitrile;hydrochloride is sourced from PubChem (CID 170962538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).