3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride

C10H12ClNOS — CID 75481032

IUPAC3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride
SMILESCl.OCCCc1cnc2ccsc2c1
InChIInChI=1S/C10H11NOS.ClH/c12-4-1-2-8-6-10-9(11-7-8)3-5-13-10;/h3,5-7,12H,1-2,4H2;1H
InChIKeyXFKHNDLXNBDENE-UHFFFAOYSA-N
MW229.73 g/mol
LogP2.64
Rot. Bonds3

About 3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride

3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride (PubChem CID 75481032) has the molecular formula C10H12ClNOS and a molecular weight of 229.73 g/mol. Its IUPAC name is 3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride
PubChem CID75481032
Molecular FormulaC10H12ClNOS
Molecular Weight229.73 g/mol
Exact Mass229.03
IUPAC Name3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride
SMILESCl.OCCCc1cnc2ccsc2c1
InChIInChI=1S/C10H11NOS.ClH/c12-4-1-2-8-6-10-9(11-7-8)3-5-13-10;/h3,5-7,12H,1-2,4H2;1H
InChIKeyXFKHNDLXNBDENE-UHFFFAOYSA-N
XLogP2.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.73
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride?
The IUPAC name of 3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride (CID 75481032) is 3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride is Cl.OCCCc1cnc2ccsc2c1.
What is the InChIKey of 3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride?
The InChIKey is XFKHNDLXNBDENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS.ClH/c12-4-1-2-8-6-10-9(11-7-8)3-5-13-10;/h3,5-7,12H,1-2,4H2;1H.
What are the key properties of 3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride?
3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride has a molecular weight of 229.73 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thieno[3,2-b]pyridin-6-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 75481032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).