2H-thieno[2,3-b]pyridin-4-one;hydrochloride

C7H6ClNOS — CID 174440586

IUPAC2H-thieno[2,3-b]pyridin-4-one;hydrochloride
SMILESCl.O=C1C=CN=C2SCC=C12
InChIInChI=1S/C7H5NOS.ClH/c9-6-1-3-8-7-5(6)2-4-10-7;/h1-3H,4H2;1H
InChIKeyFLOSMMQIUHYGAM-UHFFFAOYSA-N
MW187.65 g/mol
LogP1.58
Rot. Bonds

About 2H-thieno[2,3-b]pyridin-4-one;hydrochloride

2H-thieno[2,3-b]pyridin-4-one;hydrochloride (PubChem CID 174440586) has the molecular formula C7H6ClNOS and a molecular weight of 187.65 g/mol. Its IUPAC name is 2H-thieno[2,3-b]pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name2H-thieno[2,3-b]pyridin-4-one;hydrochloride
PubChem CID174440586
Molecular FormulaC7H6ClNOS
Molecular Weight187.65 g/mol
Exact Mass186.99
IUPAC Name2H-thieno[2,3-b]pyridin-4-one;hydrochloride
SMILESCl.O=C1C=CN=C2SCC=C12
InChIInChI=1S/C7H5NOS.ClH/c9-6-1-3-8-7-5(6)2-4-10-7;/h1-3H,4H2;1H
InChIKeyFLOSMMQIUHYGAM-UHFFFAOYSA-N
XLogP1.58
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.65
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-thieno[2,3-b]pyridin-4-one;hydrochloride?
The IUPAC name of 2H-thieno[2,3-b]pyridin-4-one;hydrochloride (CID 174440586) is 2H-thieno[2,3-b]pyridin-4-one;hydrochloride.
What is the SMILES notation for 2H-thieno[2,3-b]pyridin-4-one;hydrochloride?
The canonical SMILES for 2H-thieno[2,3-b]pyridin-4-one;hydrochloride is Cl.O=C1C=CN=C2SCC=C12.
What is the InChIKey of 2H-thieno[2,3-b]pyridin-4-one;hydrochloride?
The InChIKey is FLOSMMQIUHYGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NOS.ClH/c9-6-1-3-8-7-5(6)2-4-10-7;/h1-3H,4H2;1H.
What are the key properties of 2H-thieno[2,3-b]pyridin-4-one;hydrochloride?
2H-thieno[2,3-b]pyridin-4-one;hydrochloride has a molecular weight of 187.65 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thieno[2,3-b]pyridin-4-one;hydrochloride is sourced from PubChem (CID 174440586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).