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

C8H10ClNO2S — CID 47003508

IUPAC4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1NCCc2sccc21
InChIInChI=1S/C8H9NO2S.ClH/c10-8(11)7-5-2-4-12-6(5)1-3-9-7;/h2,4,7,9H,1,3H2,(H,10,11);1H
InChIKeyGBOQCHMSTBMOPF-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.44
Rot. Bonds1

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

4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid;hydrochloride (PubChem CID 47003508) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid;hydrochloride
PubChem CID47003508
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1NCCc2sccc21
InChIInChI=1S/C8H9NO2S.ClH/c10-8(11)7-5-2-4-12-6(5)1-3-9-7;/h2,4,7,9H,1,3H2,(H,10,11);1H
InChIKeyGBOQCHMSTBMOPF-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid;hydrochloride (CID 47003508) is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1NCCc2sccc21.
What is the InChIKey of 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid;hydrochloride?
The InChIKey is GBOQCHMSTBMOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S.ClH/c10-8(11)7-5-2-4-12-6(5)1-3-9-7;/h2,4,7,9H,1,3H2,(H,10,11);1H.
What are the key properties of 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid;hydrochloride?
4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid;hydrochloride has a molecular weight of 219.69 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrothieno[3,2-c]pyridine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 47003508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).