7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile

C8H4N2O2S — CID 54679170

IUPAC7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile
SMILESN#Cc1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C8H4N2O2S/c9-3-4-6(11)7-5(1-2-13-7)10-8(4)12/h1-2H,(H2,10,11,12)
InChIKeyTZOFGUGBZVMWIR-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.17
Rot. Bonds

About 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile

7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile (PubChem CID 54679170) has the molecular formula C8H4N2O2S and a molecular weight of 192.20 g/mol. Its IUPAC name is 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile
PubChem CID54679170
Molecular FormulaC8H4N2O2S
Molecular Weight192.20 g/mol
Exact Mass192.00
IUPAC Name7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile
SMILESN#Cc1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C8H4N2O2S/c9-3-4-6(11)7-5(1-2-13-7)10-8(4)12/h1-2H,(H2,10,11,12)
InChIKeyTZOFGUGBZVMWIR-UHFFFAOYSA-N
XLogP1.17
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile?
The IUPAC name of 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile (CID 54679170) is 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile.
What is the SMILES notation for 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile?
The canonical SMILES for 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile is N#Cc1c(O)c2sccc2[nH]c1=O.
What is the InChIKey of 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile?
The InChIKey is TZOFGUGBZVMWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O2S/c9-3-4-6(11)7-5(1-2-13-7)10-8(4)12/h1-2H,(H2,10,11,12).
What are the key properties of 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile?
7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile has a molecular weight of 192.20 g/mol, XLogP of 1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carbonitrile is sourced from PubChem (CID 54679170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).