4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile

C14H8N2O2S — CID 116862217

IUPAC4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2csc3ccccc23)cc(=O)[nH]c1O
InChIInChI=1S/C14H8N2O2S/c15-6-10-9(5-13(17)16-14(10)18)11-7-19-12-4-2-1-3-8(11)12/h1-5,7H,(H2,16,17,18)
InChIKeyUWPJPOBOXUOODM-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.83
Rot. Bonds1

About 4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile

4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 116862217) has the molecular formula C14H8N2O2S and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID116862217
Molecular FormulaC14H8N2O2S
Molecular Weight268.30 g/mol
Exact Mass268.03
IUPAC Name4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2csc3ccccc23)cc(=O)[nH]c1O
InChIInChI=1S/C14H8N2O2S/c15-6-10-9(5-13(17)16-14(10)18)11-7-19-12-4-2-1-3-8(11)12/h1-5,7H,(H2,16,17,18)
InChIKeyUWPJPOBOXUOODM-UHFFFAOYSA-N
XLogP2.83
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile (CID 116862217) is 4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2csc3ccccc23)cc(=O)[nH]c1O.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is UWPJPOBOXUOODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2S/c15-6-10-9(5-13(17)16-14(10)18)11-7-19-12-4-2-1-3-8(11)12/h1-5,7H,(H2,16,17,18).
What are the key properties of 4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile?
4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 268.30 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 116862217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).