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

C14H8N2O2S2 — CID 54689874

IUPAC3-(5-ethenylthiophen-2-yl)-4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile
SMILESC=Cc1ccc(-c2csc3[nH]c(=O)c(C#N)c(O)c23)s1
InChIInChI=1S/C14H8N2O2S2/c1-2-7-3-4-10(20-7)9-6-19-14-11(9)12(17)8(5-15)13(18)16-14/h2-4,6H,1H2,(H2,16,17,18)
InChIKeyPTVFKBXBDVADNG-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.54
Rot. Bonds2

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

3-(5-ethenylthiophen-2-yl)-4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 54689874) has the molecular formula C14H8N2O2S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(5-ethenylthiophen-2-yl)-4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-(5-ethenylthiophen-2-yl)-4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile
PubChem CID54689874
Molecular FormulaC14H8N2O2S2
Molecular Weight300.36 g/mol
Exact Mass300.00
IUPAC Name3-(5-ethenylthiophen-2-yl)-4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile
SMILESC=Cc1ccc(-c2csc3[nH]c(=O)c(C#N)c(O)c23)s1
InChIInChI=1S/C14H8N2O2S2/c1-2-7-3-4-10(20-7)9-6-19-14-11(9)12(17)8(5-15)13(18)16-14/h2-4,6H,1H2,(H2,16,17,18)
InChIKeyPTVFKBXBDVADNG-UHFFFAOYSA-N
XLogP3.54
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethenylthiophen-2-yl)-4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 3-(5-ethenylthiophen-2-yl)-4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile (CID 54689874) is 3-(5-ethenylthiophen-2-yl)-4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-(5-ethenylthiophen-2-yl)-4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-(5-ethenylthiophen-2-yl)-4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile is C=Cc1ccc(-c2csc3[nH]c(=O)c(C#N)c(O)c23)s1.
What is the InChIKey of 3-(5-ethenylthiophen-2-yl)-4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile?
The InChIKey is PTVFKBXBDVADNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2S2/c1-2-7-3-4-10(20-7)9-6-19-14-11(9)12(17)8(5-15)13(18)16-14/h2-4,6H,1H2,(H2,16,17,18).
What are the key properties of 3-(5-ethenylthiophen-2-yl)-4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile?
3-(5-ethenylthiophen-2-yl)-4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 300.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethenylthiophen-2-yl)-4-hydroxy-6-oxo-7H-thieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 54689874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).