thieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride

C8H6ClNO2S — CID 134690720

IUPACthieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1nccc2ccsc12
InChIInChI=1S/C8H5NO2S.ClH/c10-8(11)6-7-5(1-3-9-6)2-4-12-7;/h1-4H,(H,10,11);1H
InChIKeyABPBWCLECPLUBK-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.42
Rot. Bonds1

About thieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride

thieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride (PubChem CID 134690720) has the molecular formula C8H6ClNO2S and a molecular weight of 215.66 g/mol. Its IUPAC name is thieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namethieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride
PubChem CID134690720
Molecular FormulaC8H6ClNO2S
Molecular Weight215.66 g/mol
Exact Mass214.98
IUPAC Namethieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1nccc2ccsc12
InChIInChI=1S/C8H5NO2S.ClH/c10-8(11)6-7-5(1-3-9-6)2-4-12-7;/h1-4H,(H,10,11);1H
InChIKeyABPBWCLECPLUBK-UHFFFAOYSA-N
XLogP2.42
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride?
The IUPAC name of thieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride (CID 134690720) is thieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride.
What is the SMILES notation for thieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride?
The canonical SMILES for thieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride is Cl.O=C(O)c1nccc2ccsc12.
What is the InChIKey of thieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride?
The InChIKey is ABPBWCLECPLUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2S.ClH/c10-8(11)6-7-5(1-3-9-6)2-4-12-7;/h1-4H,(H,10,11);1H.
What are the key properties of thieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride?
thieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride has a molecular weight of 215.66 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-c]pyridine-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 134690720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).