4-hydroxy-1H-thieno[3,4-b]pyridin-2-one

C7H5NO2S — CID 56604088

IUPAC4-hydroxy-1H-thieno[3,4-b]pyridin-2-one
SMILESO=c1cc(O)c2cscc2[nH]1
InChIInChI=1S/C7H5NO2S/c9-6-1-7(10)8-5-3-11-2-4(5)6/h1-3,9H,(H,8,10)
InChIKeyLCCMDDQMUAZBIQ-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.30
Rot. Bonds

About 4-hydroxy-1H-thieno[3,4-b]pyridin-2-one

4-hydroxy-1H-thieno[3,4-b]pyridin-2-one (PubChem CID 56604088) has the molecular formula C7H5NO2S and a molecular weight of 167.19 g/mol. Its IUPAC name is 4-hydroxy-1H-thieno[3,4-b]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1H-thieno[3,4-b]pyridin-2-one
PubChem CID56604088
Molecular FormulaC7H5NO2S
Molecular Weight167.19 g/mol
Exact Mass167.00
IUPAC Name4-hydroxy-1H-thieno[3,4-b]pyridin-2-one
SMILESO=c1cc(O)c2cscc2[nH]1
InChIInChI=1S/C7H5NO2S/c9-6-1-7(10)8-5-3-11-2-4(5)6/h1-3,9H,(H,8,10)
InChIKeyLCCMDDQMUAZBIQ-UHFFFAOYSA-N
XLogP1.30
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Thieno(3,2-b)pyridine-5,7-diol
CID 54679747
(2-oxo-1H-thieno[3,4-b]pyridin-4-yl) trifluoromethanesulfonate
CID 142742195
N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
CID 54742128
1,2-Dihydro-4-hydroxy-2-oxothieno[3,4-b]pyridine-3-carboxylic acid methyl ester
CID 57970146
4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid
CID 68863065
N-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
CID 68866600
4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
CID 70948680
7-hydroxy-3-methyl-4H-thieno[3,2-b]pyridin-5-one
CID 102974772
4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carbaldehyde
CID 136490687
4-hydroxy-3,5-dimethyl-1H-thieno[3,4-b]pyridin-2-one
CID 59702066
5-hydroxy-6-methyl-4H,7H-thieno[3,2-b]pyridin-7-one
CID 133638401

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1H-thieno[3,4-b]pyridin-2-one?
The IUPAC name of 4-hydroxy-1H-thieno[3,4-b]pyridin-2-one (CID 56604088) is 4-hydroxy-1H-thieno[3,4-b]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1H-thieno[3,4-b]pyridin-2-one?
The canonical SMILES for 4-hydroxy-1H-thieno[3,4-b]pyridin-2-one is O=c1cc(O)c2cscc2[nH]1.
What is the InChIKey of 4-hydroxy-1H-thieno[3,4-b]pyridin-2-one?
The InChIKey is LCCMDDQMUAZBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO2S/c9-6-1-7(10)8-5-3-11-2-4(5)6/h1-3,9H,(H,8,10).
What are the key properties of 4-hydroxy-1H-thieno[3,4-b]pyridin-2-one?
4-hydroxy-1H-thieno[3,4-b]pyridin-2-one has a molecular weight of 167.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1H-thieno[3,4-b]pyridin-2-one is sourced from PubChem (CID 56604088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).